251 25 6748 https://riquim.fq.edu.uy/files/original/b3891ae4b54be537525639e1cb40c1a1.doc 0f4e6b73dad25df0b61ca80a92a78d89 https://riquim.fq.edu.uy/files/original/e44ebf11fc776b3a2c7be9c100f590e7.jpg b2de069550dcba8861dbdf84335b1163 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 309 Width 227 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource The use of residues from in citrus industry to control the drywood termite Cryptotermes brevis (isopetera:Kalotermitidae) Subject The topic of the resource RESIDUOS CERAS CITRICAS TERMITAS DE MADERA CONTROL ALTERNATIVO 2008 BIBLIOGRAFÍA NACIONAL QUÍMICA Abstract A summary of the resource. Waxes from lime (L) and orange (0) fruits, residues from the citrus industry, were evaluated as possible control methods for Cryptotermes brevis (Walker), the dry-wood termite. This termite is apermanent threat to wooden materials and goods in tropical and subtropical countries. To identify active compounds, orange (0) and lime (L) waxes were partitioned between hexane and methanol. The methanolic extracts of both waxes were further fractionated by vacuum chromatography on silica gel using a polarity gradient of chloroform (01, L1), ethyl acetate (02, L2) and methanol (03, L3). These fractions were "painted" on Pinus sp. blocks. Termite mortality (expressed as % of dead insects) was evaluated over a 60 day period. 01 was active, resulting in an insect mortality of 80% at 45 days. The L2 fraction caused 45% mortality in 28 days The lime wax fraction (L3) resulted in 86% insect mortality at the end of the 60 days. A number of treated wood blocks were stored for 5 months, and exposed to termites after this period. Blocks treated with the O1 fraction were not consumed at all, but 75% of the insects exposed died. The evaluation of the chemical composition of active fractions revealed the presence of oxygenated terpenes and coumarins in O1. Furanocoumarins, flavonoids and limonin, compounds reported as bioactive, were identified in the wax fractions. Creator An entity primarily responsible for making the resource Monteiro de Barros, Neiva <a title="currículum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=0f8b88f1a07d7ad1bd23900b47efb225">Heinzen, Horacio</a> <a title="currículum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=0a105db2a5a7c020d6e14e25180d1b21">Cesio, María Veronica</a> Acosta, Silvana Mota, Mauricio Sbeghen-Loss, Ana Carolina Rech, Vania Frizzo, Caren Desire Source A related resource from which the described resource is derived Sociobiology v. 51, no. 1, 2008. -- p. 283-293 Publisher An entity responsible for making the resource available Universidad Estadual de Feira de Santana Date A point or period of time associated with an event in the lifecycle of the resource 2008 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context ISSN: 0361-6525 Cera citricas Control alternativo Residuos Termitas de madera https://riquim.fq.edu.uy/files/original/9176f79cf1bd5dcfaddb76d637b7f887.pdf e178036d9674f251826713e8851bbff2 https://riquim.fq.edu.uy/files/original/7ef106f3220c1e0ef3157c0e02bb2589.gif bdb34206a4f7cf7140e24b96af847da9 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 131 Width 101 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource The use of saliva as a biological fluid in relative bioavailability studies : |b comparison and correlation with plasma results. Subject The topic of the resource SALIVA FLUIDOS BIOLOGICOS BIODISPONIBILIDAD BIBLIOGRAFIA NACIONAL QUIMICA 2010 Abstract A summary of the resource. The aim of the present study was to present new evidence supporting the use of saliva as a biological fluid in relative bioavailability studies. Carbamazepine was chosen as a model drug because of its suitability for salivary therapeutic drug monitoring and its well-documented plasma bioavailability. A relative bioavailability study of four different immediate release carbamazepine products was performed. Stimulated saliva samples were collected by chewing on parafilm wax and by the spitting method. In vitro dissolution testing of formulations, using 900 ml of 1% sodium lauryl sulphate in water, was also carried out. The in vitro– in vivo correlations obtained in this salivary study were consistent with previous correlations assessed using plasma. These results support the suitability of saliva as the biological fluid in relative bioavailability studies Creator An entity primarily responsible for making the resource Ruiz, M. E. Conforti, P. <a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=caabbc98478c9c9fb71e4b0eb4e4ccd5">Fagiolino, Pietro</a> Volonté, M. G. Source A related resource from which the described resource is derived Biopharmaceutics and drug disposition v. 31, no. 8-9, 2010. -- p. 476-85 Publisher An entity responsible for making the resource available Wiley Date A point or period of time associated with an event in the lifecycle of the resource 2010 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora.   Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.1002/bdd.728 Biodisponibilidad Fluídos biológicos Saliva https://riquim.fq.edu.uy/files/original/52b3bf934ebc13adc68f5dbce294b587.pdf 00856400ed20b3ff9ad90ff1d68f3dcc https://riquim.fq.edu.uy/files/original/a14549d32f31d530b75907f946eb980b.JPG 3e08fe4b706c5cf1895522da5bffcae4 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 205 Width 153 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource The Versatility of Delftia sp. Isolates as Tools for Bioremediation and Biofertilization Technologies Subject The topic of the resource BACTERIAS DELFTIA SP BIOFERTILIZANTES BIBLIOGRAFIA NACIONAL QUIMICA 2012 Abstract A summary of the resource. Two Pb(II)-resistant bacteria isolated from a soil containing 2,500 mg/kg of Pb were identified by 16S rRNA sequencing analysis as Delftia sp. and designated as 3C and 6C. Both isolates grew at a Pb(II) concentration of 62 mg/L and at the stationary phase showed a Pb(II)-sorption capability of 10 ± 1.5 (3C) and 5 ± 0.8 (6C) mg/g of biomass. Biochemical properties related to heavy metal resistance and plant growth promotion were analyzed and compared with the Cr(VI)-resistant plant growth-promoting Delftia sp. JD2, previously reported by our group. Both isolates and JD2 were resistant to Cr(VI), Pb(II) and many antibiotics, produced siderophores and the phytohormone indole-3-acetic, and showed clover growth-promoting activity in greenhouse conditions. Interestingly, the occurrence of integron class 1 was shown in all isolates. Our results add to previous reports and suggest that bacteria of the genus Delftia could be consider as good candidates for the design of technologies for cleaning up contaminated environments and/or the production of biofertilizers. Creator An entity primarily responsible for making the resource Ubalde, Martha C. Braña Scayola, María Victoria Sueiro, Fabiana Morel, María A. Martínez Rosales, María Cecilia <a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=833f8df87d0d318b23e4fdb727522b43" target="_blank">Marquez, Carolina</a> Castro Sowinski, Susana Source A related resource from which the described resource is derived Current Microbiology  v. 64, no. 6, 2012. -- p. 597-603 Publisher An entity responsible for making the resource available Springer Science+Business Media Date A point or period of time associated with an event in the lifecycle of the resource 2012 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI 10.1007/s00284-012-0108-5 Biofertilizantes DELFTIA SP https://riquim.fq.edu.uy/files/original/c394725fea38702b80eec8aafaa3ec56.pdf 32017c1ba82ac562cd98f870ba7285bf https://riquim.fq.edu.uy/files/original/8a23a61587ee045584f6c65b1d2453b2.jpg 3d5b15a381dec7436398b1e47bdccd79 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 385 Width 289 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource The voltammetric response of hydrogen adsorbates on platinum in acid solutions. A possible H-adatom subsurface state. Subject The topic of the resource HIDROGENO PLATINO SOLUCIONES ACIDAS BIBLIOGRAFIA NACIONAL QUIMICA 1997 Creator An entity primarily responsible for making the resource Martins, M.E Zinola Sánchez, Carlos Fernando Arvia, A.J Source A related resource from which the described resource is derived Journal of the Brazilian Chemical Society v. 8, no. 4, 1997. -- p. 363-370 Publisher An entity responsible for making the resource available Sociedade Brasileira de Química Date A point or period of time associated with an event in the lifecycle of the resource 1997 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context http://dx.doi.org/10.1590/S0103-50531997000400008 Hidrógeno Platino Soluciones ácidas https://riquim.fq.edu.uy/files/original/b2954985e5c12899e567f19c974f53a8.pdf e178036d9674f251826713e8851bbff2 https://riquim.fq.edu.uy/files/original/e53f86008ede5bf40d5c491811c46323.png e1caf4f971d23ae0c9042984145a70fd Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Height 202 Width 153 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource The water dimer : post-Hartree-Fock and Density Functional calculations on the potential energy surface. Subject The topic of the resource DIMERO AGUA URUGUAY BIBLIOGRAFIA NACIONAL QUIMICA 1997 Abstract A summary of the resource. Conventional ab initio and density functional methods with extended basis sets were employed in the study of a path on the water-dimer potential energy surface. The results show that density functional methods do depend strongly on the type of exchange-correlation potential employed, as well as on the quality of the basis sets – similarly to conventional ab initio methods – and on the density of the grid. Gradient-corrected methods behave, as expected, better than uncorrected ones, the Becke–Lee–Yang–Parr (BLYP) potential being the one that gives the best results. However, too large chemical- and hydrogen-bond lengths and absolute energies, as well as too small relative total and correlation energies demonstrate that even BLYP calculations with a relative large basis set are not good as MP2 calculations of the same size. Adiabatically connected functionals (ACM), represented in this work by B3PW91, provide an improvement on the whole surface. Creator An entity primarily responsible for making the resource <a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346">Ventura, O. N</a> <a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=af0c20633fe0e9e5e6bc4e2e3c5e8516">Kieninger, Martina</a> Suhai, S Diercksen, G Source A related resource from which the described resource is derived Molecular Engeneering v. 7, no. 3, 1997. -- p. 317-348 Publisher An entity responsible for making the resource available Springer Date A point or period of time associated with an event in the lifecycle of the resource 1997 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora.   Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context doi: 10.1023/A:1008243505290 Agua Dimero Uruguay https://riquim.fq.edu.uy/files/original/7079dba89669199ec2e5ebd1991b64c0.pdf e178036d9674f251826713e8851bbff2 https://riquim.fq.edu.uy/files/original/a4fabc6a822ca653cfc21510cd26345d.gif 9fca20c647df4ff8bb67c9cab2d3a164 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 129 Width 100 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource The wide pharmacological versality of semicarbazones : thiosemicarbazones and their metal complexes. Subject The topic of the resource SEMICARBAZONAS COMPLEJOS DE METALES BIBLIOGRAFIA NACIONAL QUIMICA 2004 Abstract A summary of the resource. The more significant bioactivities of a variety of semicarbazones (anti-protozoa, anticonvulsant) and thiosemicarbazones (antibacterial, antifungal, antitumoral, antiviral) and their metal complexes are reviewed together with proposed mechanisms of action and structure-activity relationships. Clinical or potential pharmacological applications of these versatile compounds are discussed. Creator An entity primarily responsible for making the resource Beraldo, Heloisa <a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=2ff5755f42707a83e7aea75299e5667c">Gambino, Dinorah</a> Source A related resource from which the described resource is derived Mini Reviews in Medicinal Chemistry v. 4, no. 1, 2004. -- p. 159-165 Publisher An entity responsible for making the resource available Bentham Date A point or period of time associated with an event in the lifecycle of the resource 2004 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora.   Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.2174/1389557043487484 Complejos de metales Semicarbazonas https://riquim.fq.edu.uy/files/original/dc323a3f6e022225a93d9f3c92b246cf.pdf e178036d9674f251826713e8851bbff2 https://riquim.fq.edu.uy/files/original/d6001a0be7d1fe1cceaf4e4200caf116.bmp aa31e36d74e7cb7c63e421c9043fcb6e Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical characterisation of the SSO, cyclic SOS and SOS isomers Subject The topic of the resource ORBITALES MOLECULARES ISOMEROS OPTICOS TEORIA CUANTICA AZUFRE-COMPUESTOS BIBLIOGRAFIA NACIONAL QUIMICA 2010 Abstract A summary of the resource. The SSO, cyclic SOS and open SOS isomers have been investigated, employing the CCSD(T) methodology and the cc-pV(Xþd)Z X¼3, 4, 5, 6 basis sets. The anharmonic force fields have been calculated to predict the fundamental vibrational frequencies, rotational constants, vibration-rotation corrections, anharmonic corrections to zero-point energies, and structural parameters. At the CCSD(T)/CBS limit and including corrections for scalar relativistic effects, complete quadruple excitations, spin-orbit and core-valence correlation effects, the estimated enthalpies of formation are �13.9�1, 32.1�1, and �51.2�1 kcal/mol, for SSO, cyclic-SOS and open-SOS, respectively. Finally, it was found that the asymmetric SO stretch of the open and cyclic SOS isomers are located in a nearly identical position and it is likely that SOS also maybe present in the surface of Io. Creator An entity primarily responsible for making the resource <a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24">Denis, Pablo A.</a> Source A related resource from which the described resource is derived Molecular Physics v. 108, no. 2, 2010. -- p. 171-179 Publisher An entity responsible for making the resource available Taylor and Francis Date A point or period of time associated with an event in the lifecycle of the resource 2010 Rights Information about rights held in and over the resource   Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.1080/00268970903580166 Azufre-compuesto Isómeros ópticos Orbitales moleculares Teoría cuántica https://riquim.fq.edu.uy/files/original/1d0893a3b93234cde916e1d67e7a3e8d.pdf c845c1000b6329c094a98acfecd6b7ea https://riquim.fq.edu.uy/files/original/59ffc5629a2afef394ab4198028a454b.jpg 8134a5b9497ec61ac693661390b1dac5 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 155 Width 116 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical characterization of codoped bilayer graphene Subject The topic of the resource NANOTECNOLOGIA NANOMATERIALES DE CARBONO GRAFENO CALCULOS FUNCIONALES DE DENSIDAD DOPAJE BIBLIOGRAFIA NACIONAL QUIMICA 2023 Abstract A summary of the resource. We studied the structure, stability and electronic propierties of bilayer graphene when both layers are doped with a pair of 3p-2p elements. The interlayer interaction energy of codoped bilayer graphene can be fine-tuned by changing the dopants. Al/B codoped bilayer graphene presents the strongest stacking, almost twice the value determined for the undoped materials. In five cases, the interaction is weaker than in bilayer graphene. Interlayer covalent bonds form only in six cases; P/O codoped bilayer graphene presents the largest interlayer distance: 3.97 Å, about 0.72 Å longer than the value determined for undoped-bilayer graphene. In four cases, we observed that a semiconductor-to-metal transition occurs when two layers are stacked. For the remaining cases except P/N codoped bilayer graphene, the band gaps are reduced with respect to the values computed for the codoped monolayers. Controlling the number of layers is an exciting approach to fine-tune the band gap of codoped graphene. Creator An entity primarily responsible for making the resource <a href="https://export.cvuy.uy/cv/?5838628233fef1a83df67e2235d927c4a69fd08d7b3b2cbd45f825b3b0327f2f869df055be96ee401aec1ab3995b9905c1339dbf8b5b1059582d0221c61fa4ea">Denis, Pablo A.</a> Source A related resource from which the described resource is derived Computational and Theoretical Chemistryv.1221, 2023. -- e114035 Publisher An entity responsible for making the resource available Elsevier Date A point or period of time associated with an event in the lifecycle of the resource 2023 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Extent The size or duration of the resource. 9 p. Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context 10.1016/j.comptc.2023.114035 Calculos funcionales de densidad Grafeno Nanomateriales de carbono Nanotecnología https://riquim.fq.edu.uy/files/original/71413e972da7b98e5bf3bbf116fd8f38.pdf c845c1000b6329c094a98acfecd6b7ea https://riquim.fq.edu.uy/files/original/1e88f4e6fffac73d8b4b220665b973d9.jpg 577aa47112ddd025f8b3cd3d09b088fe Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 155 Width 116 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical characterization of germanene doped with main group elements Subject The topic of the resource CALCULOS FUNCIONALES DE DENSIDAD GERMANIO BIBLIOGRAFIA NACIONAL QUIMICA 2024 Abstract A summary of the resource. Herein, using density functional calculations, we studied the substitutional doping in germanene with B, C, N, O, Al, Si, P, S, Ga, As, and Se. Nitrogen is the element that can be more easily incorporated into the germanene lattice, followed by silicon, carbon, and boron. Almost all dopants were efficient in opening a band-gap. Yet, caution should be taken because this opening strongly depends on the dopant concentration. Carbon and sulfur were the most effective elements for band-gap opening. C-doping generates the lowest effective masses (me*/m0=mh*/ m0=0.09). The equal me and mh values indicate an intrinsic semiconductor behavior, a characteristic shared by the chalcogenides- doped systems. Additionally, we performed a detailed analysis of the preferred disposition of dopants in the germanene lattice. In contrast with the results obtained for graphene, when multiple atoms are introduced in the germanene framework, they do not prefer to be agglomerated, adopting a random disposition, except in the case of sulfur and nitrogen, which favored specific dopant arrangement. Two sulfur dopants showed a notorious preference for replacing a Ge Creator An entity primarily responsible for making the resource Denis, Pablo A. Laranjeira, Jose A. S. Sambrano, Julio R. Source A related resource from which the described resource is derived ChemPhysChem v. 25, n° 12, 2024. -- e202400139 Publisher An entity responsible for making the resource available Editorial Union of Chemical Societies Date A point or period of time associated with an event in the lifecycle of the resource 2024 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Extent The size or duration of the resource. 14 p. Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context 10.1002/cphc.202400139 Calculos funcionales de densidad Germanio https://riquim.fq.edu.uy/files/original/22bb10809724ae33bd86c9994c4ed96f.pdf 381081c6197b4d45a931a88b922a3eeb https://riquim.fq.edu.uy/files/original/a5d119fee5f25082b3fa65b9e35d4d06.jpeg 2d3e8c2780107b98b6672adb2714360d Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 194 Width 148 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data Pdf Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical characterization of hexagonal 2D Be3N2 monolayer Subject The topic of the resource GRAFENO TEORIA FUNCIONAL DE DENSIDAD PROPIEDADES GEOMETRICAS PROPIEDADES ELECTRONICAS PROPIEDADES OPTICAS BIBLIOGRAFIA NACIONAL QUIMICA 2019 Abstract A summary of the resource. First-principles density functional theory (DFT) calculations are performed to assess the stability, and geometric, mechanical, optical and electronic properties of monolayer graphene-like Be3N2. We find that Be3N2 is a large band gap semiconductor with small electron and hole effective masses, which may promote its use in nanoelectronic devices. Furthermore, its excellent thermal, dynamical, and mechanical stability makes it a material of comparable caliber to that of graphene. In addition, the excellent electrochemical properties of Be3N2 make it a unique material with possible theoretical capacities of 974 mA h g−1 for Li, Na, and K. Moreover, Be3N2 can form bulk graphite-like layered structures with two different configurations, i.e. N2–N1 and N2–Be1. Finally, the derivatives of Be3N2 (Be3N2 nanoribbons) also possess direct band gaps which can be finely tuned to the desired level by geometry and morphology constraints. Based on these fascinating properties, Be3N2 and its derivatives can find a broad range of applications in nanoelectronics and battery technologies. Creator An entity primarily responsible for making the resource Ullah, Saif <a title="Curriculum Vitae" href="https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=1&cad=rja&uact=8&ved=2ahUKEwjAzt352r_mAhUBErkGHSG_ALIQFjAAegQIBBAG&url=https%3A%2F%2Fexportcvuy.anii.org.uy%2Fcv%2F%3F5838628233fef1a83df67e2235d927c4a69fd08d7b3b2cbd45f825b3b0327f2f869df055be96ee401aec1ab3995b9905c1339dbf8b5b1059582d0221c61fa4ea&usg=AOvVaw1-3bMhJ1paRert553HzPBB" target="_self">Denis, Pablo A.</a> Capaz, Rodrigo B. Sato, Fernando Source A related resource from which the described resource is derived New Journal of Chemistry  v. 43, no. 7, 2019. -- p.2933-2941 Publisher An entity responsible for making the resource available Royal Society of Chemistry Date A point or period of time associated with an event in the lifecycle of the resource 2019 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource Pdf Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI:10.1039/C8NJ05600E Grafeno Propiedades electricas Propiedades Geometrica Propiedades ópticas Teoria funcional de densidad https://riquim.fq.edu.uy/files/original/bf9c9b336410b270a5d612c2b51848bd.pdf 0ebebc2e46cd599f97051dd7aefd7031 https://riquim.fq.edu.uy/files/original/fc45512c1e35c27224c1bb76e82debf8.gif 22cec3340dc2b03e302d33873b91e840 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 7 Channels 3 Height 131 Width 101 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical characterization of hydrogen pentoxide, H2O5 Subject The topic of the resource QUIMICA CUANTICA HIDROGENO BIBLIOGRAFIA NACIONAL QUIMICA 2013 Abstract A summary of the resource. Following our investigations on hydrogen polyoxides, herein we employed coupled cluster theory in conjunction with Dunning's correlation consistent basis sets and density functional theory to study HOOOOOH (H2O5). The infrared spectra of H2O5 and its three deuterated isotopologues, as well as those of the five single-substituted 18O isotopologues are discussed in detail. Internal valence coordinates were employed to classify the vibrational modes. The Raman activity is reported to help in the identification of hydrogen pentoxide. The suggested enthalpy of formation is ΔHf,298° (HOOOOH) = 1.4 ± 1.5 kcal/mol. This value includes corrections for relativistic and core-valence effects as well as anharmonic corrections to Zero-point energy corrections. © 2013 Wiley Periodicals, Inc. Creator An entity primarily responsible for making the resource <a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank">Denis, Pablo A.</a> Source A related resource from which the described resource is derived International Journal of Quantum Chemistry 2013 Publisher An entity responsible for making the resource available Wiley Online Library Date A point or period of time associated with an event in the lifecycle of the resource 2013 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.1002/qua.24432 Hidrógeno Química cuántica https://riquim.fq.edu.uy/files/original/579160ae0f00bc9153d1f5cf025c60c3.pdf 00856400ed20b3ff9ad90ff1d68f3dcc https://riquim.fq.edu.uy/files/original/f3870a92c59d2889851f5ad796c4900a.jpg 9a5113e7b3e9b221194e864353c742df Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 153 IPTC Array a:4:{s:7:"caption";s:92:"no spine minimum. full size. Editor: Barbara Sydow JEM: Clay RTP: Marcia Ross, Cathy Fisher";s:6:"byline";s:15:"wardsdesign.com";s:12:"byline_title";s:6:"jpcafh";s:11:"object_name";s:35:"The Journal of Physical Chemistry A";} IPTC String caption:no spine minimum. full size. Editor: Barbara Sydow JEM: Clay RTP: Marcia Ross, Cathy Fisher byline:wardsdesign.com byline_title:jpcafh object_name:The Journal of Physical Chemistry A Width 115 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical characterization of hydrogen polyoxides : HOOH, HOOOH, HOOOOH, and HOOO Subject The topic of the resource NANOTECNOLOGIA NANOTECNOLOGIA COMPUTACIONAL HIDROGENO BIBLIOGRAFIA NACIONAL QUIMICA 2009 Abstract A summary of the resource. We have investigated the polyoxides HOOH, HOOOH, HOOOOH, and HOOO employing the CCSD(T) methodology, and the correlation consistent basis sets. For all molecules, we have computed fundamental vibrational frequencies, structural parameters, rotational constants, and rotation-vibration corrections. For HOOOH, we have obtained a good agreement between our results and microwave and infrared spectra measurements, although for the symmetric OO stretch some important differences were found. Heats of formation were computed using atomization energies, and our recommendation is as follows: ΔHo f,298(HOOOH) ) -21.50 kcal/mol and ΔHo f,298(HOOOOH) ) -10.61 kcal/mol. In the case of HOOO, to estimate the heat of formation, we have constructed three isodesmic reactions to cancel high order correlation effects. The results obtained confirmed that the latter effects are very important for HOOO. The new ΔHo f,298(HOOO) obtained is 5.5 kcal/mol. We have also calculated the zero-point energies of DO and DOOO to correct the experimental lower limit determined for the ΔHo f,298(HOOO). The Δ(ΔZPE) decreases the binding energy of HOOO by 0.56 kcal/mol. Employing the latter value, the new experimental lower limit for ΔHo f,298(HOOO) is 3.07 kcal/mol, just 2.4 kcal/mol lower than our determination. We expect that the fundamental vibrational frequencies and rotational constants determined for HOOOOH and DOOOOD contribute to its identification in the gas phase. The vibrational spectrum of HOOOOH shows some overlapping with that of HOOOH thus indicating that one may encounter some difficulties in its characterization. We discuss the consequences of the thermochemical properties determined in this work, and suggest that the amount of HOOO present in the atmosphere is smaller than that proposed recently in this journal Creator An entity primarily responsible for making the resource <a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank">Denis, Pablo Andrés</a> Ornellas, Fernando R. Source A related resource from which the described resource is derived Journal of Physical Chemistry A v.113, no.2, 2009. -- p.499-506 Publisher An entity responsible for making the resource available ACS Date A point or period of time associated with an event in the lifecycle of the resource 2009 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Ingles Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.1021/jp808795e Hidrógeno Nanotecnología Nanotecnología Computacional https://riquim.fq.edu.uy/files/original/56f5948dc2adb34c775f3449d144b4e9.pdf 47a04f8f934ca1a865868e503e4e507f https://riquim.fq.edu.uy/files/original/181d20c118b72e983097bfc311b2dc21.bmp 3a5e010ea31b8d02e723ebdf9d11012c Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical characterization of sulfur and nitrogen dual-doped graphene Subject The topic of the resource NITROGENO SULFURO GRAFENO BIBLIOGRAFIA NACIONAL QUIMICA 2014 Abstract A summary of the resource. We have employed density functional theory to unravel the structural and electronic properties of sulfur and nitrogen dual-doped graphene. In the preferred configuration, the sulfur and nitrogen atoms replace the carbon atoms of a CC bond, but they are not bonded. Thus, the nitrogen atom adopts a pyridinic arrangement and the sulfur atom an edge like bonding pattern, since it is solely bonded to two carbon atoms. The formation energy determined for sulfur and nitrogen dual-doped graphene was 1.36 eV smaller than the sum of the formation energies (FE) of sulfur doped graphene and nitrogen doped graphene. There is a synergic effect between sulfur and nitrogen which lowers the FE as compared with separated doping. This particular arrangement of the dopants enhances the reactivity of the sheet. For example, it facilitates the addition of molecular oxygen to sulfur to form SO2 functionalities. In general, the introduction of sulfur and nitrogen opens a band gap as indicated by HSE calculations. Creator An entity primarily responsible for making the resource <a title="currículum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank">Denis, Pablo A.</a> Pereyra Huelmo, C. <a title="currículum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=61cb9707d2f1b34e7a18f0e5255264e0" target="_blank">Iribarne, Federico</a> Source A related resource from which the described resource is derived Computational and Theoretical Chemistry  v. 1049, 2014. -- p. 13-19 Publisher An entity responsible for making the resource available Elsevier Date A point or period of time associated with an event in the lifecycle of the resource 2014 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context http://dx.doi.org/10.1016/j.comptc.2014.08.023 https://riquim.fq.edu.uy/files/original/c7a84110c64ed6b54ad1e1ba9faf9f27.pdf 0ebebc2e46cd599f97051dd7aefd7031 https://riquim.fq.edu.uy/files/original/1b0ac38d24951558920cda2ccbc1d704.jpg d8bcc9275b7c968ac6e90ba3b0bb2d49 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 195 Width 148 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical characterization of supramolecular complexes formed by fullerenes and dimeric porphyrins Subject The topic of the resource FULLERENOS PORFIRINAS DIMERICAS BIBLIOGRAFIA NACIONAL QUIMICA 2018 Abstract A summary of the resource. We have employed the M06-2X, PBE-D3BJ and B3LYP-D3BJ methods to study the hosting of fullerenes by 15 single, dimeric and trimeric porphyrins. We found a poor correlation between the experimental association constants and the calculated free energy changes in solution. Surprisingly, the correlation between ΔE and Image ID:c8nj01467a-t1.gif was also unsatisfactory. The problem could be traced back to the fact that dimeric porphyrins adopt stacked structures in the gas phase, while they present open structures in the supramolecular complex with C60. The inclusion of solvent effects reduced the relative energies between the stacked and open forms of the dimeric porphyrins. Thus, flexible dimeric porphyrins seem to be more efficient than buckybowls in overcoming non bonded interactions, which force hosts to adopt folded structures. For this reason they display larger association constants towards fullerenes. On the basis of these results, we found that a qualitative assessment of the strength of fullerene/porphyrin complexes was possible when diabatic interactions energies were considered, i.e. gas phase binding energies computed using the structures that the receptor and guest present in the supramolecular complex. Creator An entity primarily responsible for making the resource <a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_self">Denis, Pablo A.</a> Source A related resource from which the described resource is derived New Journal of Chemistry |g v. 42, 2018. -- p. 9956-9964 Publisher An entity responsible for making the resource available Royal Society of Chemistry Date A point or period of time associated with an event in the lifecycle of the resource 2018 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.1039/C8NJ01467A Fullerenos Porfirinas Dimericas https://riquim.fq.edu.uy/files/original/1659fc30c82fed67f819175d151a3eb0.pdf e178036d9674f251826713e8851bbff2 https://riquim.fq.edu.uy/files/original/ebf152a7f772056ad0a3af9b94018ece.bmp 29d0567c44c6499cf35a5b5d5b9b1dc6 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical characterization of the HSOH, H2SO and H2OS isomers Subject The topic of the resource TERMOQUIMICA QUIMICA DE COMBUSTION ESPECTROSCOPIA VIBRACIONAL SULFUROS-COMPUESTOS 2008 BIBLIOGRAFIA NACIONAL QUIMICA Abstract A summary of the resource. The HSOH, H2SO and H2OS isomers have been investigated employing the CCSD(T) methodology and the cc-pV(Xþd)Z X¼3,4,5,6 basis sets. The anharmonic force fields have been calculated to predict the fundamental vibrational frequencies, rotational constants, vibration–rotation corrections, anharmonic corrections to zero-point energies, and structural parameters. In addition to this, a spectroscopic characterization of the deuterated isomers D2SO and D2OS was performed. At the CCSD(T)/CBS limit and including corrections for scalar relativistic, spin orbit and core-valence correlation effects, the estimated enthalpies of formation are �28.1�1, �12.3�1, and 10.1�1 kcal/mol for HSOH, H2SO and H2OS, respectively. Finally, we discuss the problems faced during the extrapolation to the CBS limit of the properties investigated. Creator An entity primarily responsible for making the resource <a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank">Denis, Pablo A.</a> Source A related resource from which the described resource is derived Molecular Physics v.106, no. 21-23, 2008. -- p.2557-2567 Publisher An entity responsible for making the resource available Taylor & Francis Date A point or period of time associated with an event in the lifecycle of the resource 2008 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.1080/00268970802603523 Espectroscopía vibracional Química de combustión Sulfuros - compuestos Termoquímica https://riquim.fq.edu.uy/files/original/63497c0139eb50e144421da3938116ea.JPG a018e857cf6e01debe9fec3332773d22 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 299 Width 219 https://riquim.fq.edu.uy/files/original/c892cd6ab6d73d0bcfb1fa7a97b3fbdb.pdf e178036d9674f251826713e8851bbff2 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical characterization of the low lying excited atates of NbC. Subject The topic of the resource FISICA QUÍMICA BIBLIOGRAFÍA NACIONAL QUÍMICA 2005 Abstract A summary of the resource. We have studied the potential-energy curves and the spectroscopic constants of the ground and low-lying excited states of NbC by employing the complete active space self-consistent field method with relativistic effective core potentials followed by multireference configuration-interaction calculations. We have identified 23 low-lying electronic states of NbC with different spin multiplicities and spatial symmetries within 40,000 cm(-1). At the multireference single and double configuration interaction level of theory the 2sigma+ and 2delta states are nearly degenerated, with the 2delta state located 187 cm(-1) lower than the 2sigma+ state. The estimated spin-orbit splitting for the 2delta state results in a 2delta(3/2) ground state and A 2sigma+ which is placed 650 cm(-1) above the ground state, in reasonable agreement with the experimental result, 831 cm(-1). Our computed spectroscopic constants are in good agreement with experimental values although our results differ from those of a previous density-functional investigation of the excited states of NbC, mainly due to the strong multiconfigurational character of NbC. In the present work we have not only suggested assignments for the observed states but also computed more electronic states that are yet to be observed experimentally. Creator An entity primarily responsible for making the resource <a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24">Denis, Pablo A</a> Balasubramanian, K Source A related resource from which the described resource is derived Journal of Chemical Physics v. 123, no. 5, 2005. -- p. 054318/1-054318/19 Publisher An entity responsible for making the resource available American Institute of Physics Date A point or period of time associated with an event in the lifecycle of the resource 2005 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.1063/1.1978867 Física Química https://riquim.fq.edu.uy/files/original/0bb53f2363953dba2d6fd2370db94ebd.doc 0f4e6b73dad25df0b61ca80a92a78d89 https://riquim.fq.edu.uy/files/original/bf0ffd00b3eee17ca08a4c704b51c400.gif 5b4c127eb1bcd4c11ff5a7b72d131e59 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 7 Channels 3 Height 150 Width 112 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical characterization of the thiosulfeno radical : HS2 Subject The topic of the resource QUIMICA FISICA TIOSULFENO 2006 BIBLIOGRAFÍA NACIONAL QUÍMICA Creator An entity primarily responsible for making the resource <a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank">Denis, Pablo A.</a> Source A related resource from which the described resource is derived Chemical Physics Letters v. 422, no. 4-6, 2006. -- p. 434-438 Publisher An entity responsible for making the resource available Elsevier Date A point or period of time associated with an event in the lifecycle of the resource 2006 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.1016/j.cplett.2006.02.107 Química Física Tiosulfeno https://riquim.fq.edu.uy/files/original/cb426c9a800c5ae2fd3aa9f431c76c83.doc 0f4e6b73dad25df0b61ca80a92a78d89 https://riquim.fq.edu.uy/files/original/2a7453d82108b5c8bd4879ce2fc51ee5.gif 39208132f56b292433d3fb629b62daa4 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 150 Width 111 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical characterization of thioepoxidated single wall carbon nanotubes Subject The topic of the resource FISICOQUIMICA NANOTUBOS CARBON 2008 BIBLIOGRAFÍA NACIONAL QUÍMICA Abstract A summary of the resource. We have studied the external addition of sulfur to the walls of the (5,5) and (10,0) SWCNTs forming a cyclic thioepoxide. The binding energies are close to 32 kcal/mol, but they can be increased to 41 kcal/mol if the sulfur atoms are added forming a line along the axis of the (10,0) SWCNT. The addition of sulfur atoms to the (5,5) SWCNT alters the DOS but the tubes remains metallic. However, for the (10,0) SWCNT the exothermic addition of sulfur atoms can induce strong changes in the DOS, depending on the amount of sulfur atoms added. When we included one sulfur per 120 carbons, the (10,0) SWCNT showed metallic properties. Creator An entity primarily responsible for making the resource <a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank">Denis, Pablo A.</a> <a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=fc7cd71892b1a9968ee19230dafdbd01" target="_blank">Faccio, Ricardo</a> Source A related resource from which the described resource is derived Chemical Physics Letters v. 460, no.4-6, 2008. -- p. 486-491 Publisher An entity responsible for making the resource available Elsevier Date A point or period of time associated with an event in the lifecycle of the resource 2008 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.1016/j.cplett.2008.06.031 Carbon Fisicoquímica Nanotubos https://riquim.fq.edu.uy/files/original/077b451d16a28b0605c7b0ec9a88199e.pdf 6b597d50199695d3f2a056dd2479f5d9 https://riquim.fq.edu.uy/files/original/c94b60cd1888db80c0a5157083670a6d.jpg 561e212bf50ca70e71af66929b677136 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 400 Width 300 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical EPR study of Nitroindazoles: 3-Alkoxy, 3-Hydroxy and 3-Oxo Derivatives. Subject The topic of the resource ESPECTROSCOPIA TRYPANOSOMA CRUZI ANTITRIPANOSOMAS BIBLIOGRAFIA NACIONAL QUIMICA 2010 Abstract A summary of the resource. A DFT study on 5-NI derivatives was carried out at different levels of theory, in order to seek for the best methodology that helps us to calculate hyperfine coupling constants (hfccs), spin density distributions and electronic properties, since it is difficult to obtain a good agreement between calculated and experimental hfccs for nitrogen center radical compounds. Different functional hybrids namely B1LYP, B3LYP and PBE0 were used in conjunction with various medium to large size basis sets. C-PCM model was considered for solute-solvent interactions. Comparisons of our calculations with previous experimental data obtained from EPR and X-ray techniques confirmed that this computational approach represents an important aid. Our results indicated that solvent effects and consideration of diffuse functions are the most important factors on the calculation of hyperfine coupling constants for this nitro-heterocyclic system. Also, we found that some electronic properties calculated (LUMO orbital, condensed Fukui functions for nucleophilic attacks and electron affinity) do not correlate as expected with the biological activity. Creator An entity primarily responsible for making the resource Rodríguez Becerra, Jorge Olea-Azar, Claudio Zapata Torres, Gerald Mendizabal, Fernando González, Mercedes Cerecetto, Hugo Source A related resource from which the described resource is derived Journal of Brazilian Chemical Society v. 21, no. 10, 2010. -- p. 1937-1944 Publisher An entity responsible for making the resource available Sociedade Brasileira de Química Date A point or period of time associated with an event in the lifecycle of the resource 2010 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS PORLA LEY DEDERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora.   Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context http://dx.doi.org/10.1590/S0103-50532010001000020 Antitripanosomas Espectroscopía Trypanosoma cruzi https://riquim.fq.edu.uy/files/original/8c61174bd2960f0e1ba0919c2a6a19f7.doc 6661e9f9bf164e0f2c8f66847b69ce53 https://riquim.fq.edu.uy/files/original/9b076e2074078b4a36ef02a12cec54bd.jpg f9d00a59664b6c2c2fda6cc4cda8eb51 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 203 Width 153 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical insight into the mechanism for the inhibition of the cysteine protease cathepsin B by 1,2,4-thiadiazole derivatives Subject The topic of the resource QUIMICA CUANTICA CISTEINA PROTEASA CAPTESINA BIBLIOGRAFIA NACIONAL QUIMICA 2014 Abstract A summary of the resource. Several cellular disorders have been related to the overexpression of the cysteine protease cathepsin B (CatB), such as rheumatic arthritis, muscular dystrophy, osteoporosis, Alzheimer's disease, and tumor metastasis. Therefore, inhibiting CatB may be a way to control unregulated cellular functions and prevent tissue malformations. The inhibitory action of 1,2,4-thiadiazole (TDZ) derivatives has been associated in the literature with their ability to form disulfide bridges with the catalytic cysteine of CatB. In this work, we present molecular modeling and docking studies of a series of eight 1,2,4-thiadiazole compounds. Substitutions at two positions (3 and 5) on the 1,2,4-thiadiazole ring were analyzed, and the docking scores were correlated to experimental data. A correlation was found with the sequence of scores of four related compounds with different substituents at position 5. No correlation was observed for changes at position 3. In addition, quantum chemistry calculations were performed on smaller molecular models to study the mechanism of inhibition of TDZ at the active site of CatB. All possible protonation states of the ligand and the active site residues were assessed. The tautomeric form in which the proton is located on N2 was identified as the species that has the structural and energetic characteristics that would allow the ring opening of 1,2,4-thiadiazole. Creator An entity primarily responsible for making the resource <a title="currículum vitae" href="http://buscadores.anii.org.uy/buscador_cvuy/exportador/ExportarPdf?hash=10d1055ca9d091523096be909df436b7" target="_blank">Vega Teijido, Mauricio Angel</a> El Chamy Maluf, Sarah Ramalho Bonturi, Camila Sambrano, Julio Ricardo <a title="currículum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank">Ventura, Oscar N.</a> Source A related resource from which the described resource is derived Journal of Molecular Modelling v. 20, no.6, 2014. -- p. 2254-2268 Publisher An entity responsible for making the resource available Springer Berlin Heidelberg Date A point or period of time associated with an event in the lifecycle of the resource 2014 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context doi: 10.1007/s00894-014-2254-0 Captesina Cisteina proteasa Química cuántica https://riquim.fq.edu.uy/files/original/acd80581e40c16aab63bdacd70f69976.pdf 00856400ed20b3ff9ad90ff1d68f3dcc https://riquim.fq.edu.uy/files/original/cfd244838d753f7dbe9548b256898dac.gif 1bae1530dc59f0d7adee9afa8c5707f2 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 131 Width 101 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical investigation of Carbon-Sulfur triple bonds Subject The topic of the resource AZUFRE CARBON CALCULOS AB INITIO CALCULOS DE LA DENSIDAD BIBLIOGRAFIA NACIONAL QUIMICA 2011 Abstract A summary of the resource. By means of first principle calculations we have investigated a set of molecules that are presumed to contain carbon–sulfur triple bonds, namely HCSOH, H3SCH, cis-FCSF, F3CCSF3, and F5SCSF3. For HCSOH, FCSF, and H3SCH we used the CCSD(T) methodology and the correlation-consistent basis sets. On the other hand, F3CCSF3 and F5SCSF3 were studied at the B3LYP, M06-2X, MP2, and G3 levels of theory. We found that none of these molecules display a carbon–sulfur adiabatic bond dissociation energy (ABDE) as strong as diatomic CS (170.5 kcalmol�1), or a diabatic bond dissociation energy (DBDE) larger than the one found in SCO (212.0 kcal mol�1), although the DBDE of FCSF comes quite close at 208.3 kcalmol�1. The CS ABDEs of F3CCSF3, F5SCSF3, and H3SCH are comparable to that of a single C�S bond. In contrast with the experimental results, F3CCSF3 and F5SCSF3 are predicted to be linear with C3v and Cs symmetry, respectively, at the B3LYP/6-311+GACHTUNGTRENUNG(3df,2p) level. MP2/6-311+GACHTUNGTRENUNG(2df,2p) calculations support the C3v symmetry for F3CCSF3, despite F5SCSF3 not having a perfect linear structure; the CSC angle is 174.68, which is nearly 208 larger than the experimental value. The analysis of the carbene structures of HCSOH and H3SCH revealed that they are not significant, because the triplet state is dissociative in these cases. However, for F3CCSF3 and F5SCSF3, the carbene triplet states lie 0.81 and 0.77 eV above the singlet state, respectively. In the same vein, our investigation supports the presence of a strong double bond for HCSOH. The conflicting evidence available for F3CCSF3 and F5SCSF3 makes it very difficult to determine the nature of the CS bonds. However, the bond dissociation energies and the singlet– triplet splittings clearly suggest that these compounds should be considered as masked sulfinylcarbenes. The analysis of the bond dissociation energies challenges the existence of a triple bond in these five molecules, but from a strictly thermodynamic standpoint, cis-FCSF is found to be the candidate most likely to exhibit triplebond character. Creator An entity primarily responsible for making the resource <a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank">Denis, Pablo A.</a> <a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=61cb9707d2f1b34e7a18f0e5255264e0" target="_blank">Iribarne, Federico</a> Source A related resource from which the described resource is derived Chemistry European Journal v. 17, no. 6, 2011. -- p. 1979-1987 Publisher An entity responsible for making the resource available Wiley Date A point or period of time associated with an event in the lifecycle of the resource 2011 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context http://dx.doi.org/10.1002/chem.201002840 Azufre Cálculos Ab initio Cálculos de la densidad Carbon https://riquim.fq.edu.uy/files/original/781170b0b6bd8ff04ed126a514710dc0.pdf e178036d9674f251826713e8851bbff2 https://riquim.fq.edu.uy/files/original/161bbf984fdc32796e3e1cf15961e094.bmp aa31e36d74e7cb7c63e421c9043fcb6e Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical investigation of ionized HSO and SOH. Subject The topic of the resource QUIMICA ATMOSFERICA BIBLIOGRAFIA NACIONAL QUIMICA 2010 Abstract A summary of the resource. The anharmonic force-fields of HSOþ and SOHþ have been determined employing the CCSD(T) methodology and the correlation consistent basis sets. The calculated fundamental frequencies of SOHþ are 1009, 1149 and 3317 cm�1, for the �SO, �bend and �OH, respectively. For HSOþ the computed fundamentals are 1060, 1190 and 2307 cm�1, for the �bend, �SO and �SH, respectively. The vibrational frequency observed at 1150�160 cm�1 for HSOþ, which was tentatively assigned to the bending-mode, is close to our computed value for the SO-stretching mode. Thus revision of the assignment is suggested. The computed ionization potentials for HSO and SOH are 9.933 and 10.096 eV, respectively. The former value is in excellent agreement with the experimental measurement, 9.918�0.016 eV. The onset to triplet HSOþ is calculated at 11.115 eV, in reasonable agreement with the experimental value 11.15�0.04 eV. To estimate the DHo f,298 of HSOþ and SOHþ we considered relativistic, core-valence and higher-order correlation effects. The recommended values are DHo f,298(HSOþ)¼223.6�0.5 and DHo f,298(SOHþ)¼230.7�0.5 kcal/mol. Finally, employing the experimental ionization potential of HSO and the DHo f,298(HSOþ) we recommend DHo f,298(HSO)¼�5.5�0.5 and DHo f,298(SOH)¼�2.0�0.5 kcal/mol. Creator An entity primarily responsible for making the resource <a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24">Denis, Pablo A</a> Source A related resource from which the described resource is derived Molecular Physics v. 108 , no. 13, 2010. -- p. 1739-1747 Publisher An entity responsible for making the resource available Taylor and Francis Date A point or period of time associated with an event in the lifecycle of the resource 2010 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora.   Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.1080/00268976.2010.489526 Química atmosférica https://riquim.fq.edu.uy/files/original/4b8fd08b3e584d77b503a958657d603b.doc 0f4e6b73dad25df0b61ca80a92a78d89 https://riquim.fq.edu.uy/files/original/5e6a5fda8909a23b9f28e08810f19fde.gif 4b461c5bbdd92bcf567bb7369192ffd7 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 150 Width 111 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical investigation of nitrogen disubstituted corannulenes Subject The topic of the resource NITROGENO QUIMICA CUANTICA ISOMEROS 2008 BIBLIOGRAFÍA NACIONAL QUÍMICA Creator An entity primarily responsible for making the resource <a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank">Denis, Pablo A.</a> Source A related resource from which the described resource is derived THEOCHEM v. 865, no.1-3, 2008. -- p.8-13 Publisher An entity responsible for making the resource available Elsevier Date A point or period of time associated with an event in the lifecycle of the resource 2008 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.1016/j.theochem.2008.06.007 Isómeros Nitrógeno Química cuántica https://riquim.fq.edu.uy/files/original/84d5354cb8619a6ba060d58634d34ee9.pdf 47a04f8f934ca1a865868e503e4e507f https://riquim.fq.edu.uy/files/original/d293af35a244ec877b79c98f04253a4c.jpg e63e0950c497ed578387b12af19091fb Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 208 Width 153 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical investigation of the 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene (exTTF) dimer Subject The topic of the resource FULLERENO DIMEROS BIBLIOGRAFIA NACIONAL QUIMICA 2015 Abstract A summary of the resource. 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene (exTTF) is commonly used as pincer in fullerene receptors. In order to understand how this molecule interacts with itself, and thus gain insight in the overall interaction in fullerene receptors which use exTTF as pincer, we studied the exTTF dimer at the M06-2X and ωB97XD levels of theory. The results indicate that this supramolecular complex displays an interaction energy which is larger than the one determined for corannulene. However, the most important difference between both fullerene pincers is not the interaction energy but the number of conformations available, which are larger for the exTTF-based dimer. In effect, at least four completely different structures of the exTTF dimer present interaction energies larger than that computed for corannulene. For this reason, exTTF is expected to: a) adopt strongly dispersion-bound conformations when it is used as pincer to construct fullerene receptors and b) intricate crystallographic structures when stacked with fullerenes. Creator An entity primarily responsible for making the resource <a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank">Denis, Pablo A.</a> <a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=61cb9707d2f1b34e7a18f0e5255264e0" target="_blank">Iribarne, Federico</a> Source A related resource from which the described resource is derived Structural Chemistry v. 26, no. 1, 2015. -- p. 171-176 Publisher An entity responsible for making the resource available Springer Date A point or period of time associated with an event in the lifecycle of the resource 2015 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI: 10.1007/s11224-014-0480-9 Dimeros Fulereno https://riquim.fq.edu.uy/files/original/31322d438f313c872fcc5e7500045f9a.pdf 00856400ed20b3ff9ad90ff1d68f3dcc https://riquim.fq.edu.uy/files/original/625d4a7cc74c7fee41cc20794e222b45.gif 502e46b1df4c6c887f3413b2d6321d9a Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 7 Channels 3 Height 131 Width 101 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Theoretical investigation of the stability, electronic and magnetic of thiolated single-wall carbon nanotubes Subject The topic of the resource CARBON NANOTUBOS NANOTECNOLOGIA NANOTECNOLOGIA COMPUTACIONAL BIBLIOGRAFIA NACIONAL QUÍMICA 2009 Abstract A summary of the resource. The addition of SH and OH groups to single-wall carbon nanotubes (SWCNTs) was investigated employing first principles calculations. In the case of the semiconducting (10, 0) SWCNT the SWCNT-SH binding energy is weak, 2–4 kcal/mol. However, for the metallic (5, 5) SWCNT it is larger, 7–9 kcal/mol. Thus metallic SWCNTs seem to be more reactive to SH than the semiconducting ones. Indeed, the (6, 6) SWCNT is more reactive to SH than the (10, 0) SWCNT, by 2–3 kcal/mol, something that can be explained only considering the electronic structure of the tube, because the (6, 6) has a larger diameter. The binding energies are larger for the addition of the OH group, 25 and 30 kcal/mol for the (10, 0) and (5, 5) SWCNTs, respectively. When a single OH or SH group is attached to the metallic SWCNTs, we observe important changes in the DOS at the Fermi level. However, when multiple SH groups are attached, the changes in the electronic and magnetic properties depend on the position of the SH groups. The small binding energy found for the SH addition indicates that the successful functionalization of SWCNTs with SH, SCH3, and S(CH2)nSH groups is mostly due to the presence of defects created after acid treatment and to a minor extent by the metallic tubes present in the samples. Perfect semiconducting SWCNTs showed very low reactivity against the SH group. Creator An entity primarily responsible for making the resource <a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank">Denis, Pablo Andrés</a> Source A related resource from which the described resource is derived International Journal of Quantum Chemistry |g v.109, nº 4, 2009. -- p.772-781 Publisher An entity responsible for making the resource available Wiley Date A point or period of time associated with an event in the lifecycle of the resource 2009 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource Ingles Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context DOI 10.1002/qua.21886 Carbon Nanotecnología Nanotubos