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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.
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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
<strong>Hexachlororhenate IV salts of organic radical cations.</strong>
Subject
The topic of the resource
BIBLIOGRAFIA NACIONAL QUIMICA
QUIMICA INORGANICA
2005
Abstract
A summary of the resource.
The ionic salts (p-rad)2[ReCl6] (1) and (m-rad)2[ReCl6] (2) (p/m-rad = 2-(4/3-N-methylpyridinium)-4,4,5,5-tetramethyl-4,5-dihydro- 1H-imidazol-1-oxyl-3-N-oxide) have been prepared and their crystal structures determined by single-crystal X-ray diffraction. The nitronyl nitroxide cations in compound 1 show a layered disposition, whereas the [ReCl6]2� units are placed between these layers. The nitronyl nitroxide cations in compound 2 adopt an hexagonal array but they do not result in layers. Bulk magnetic properties of 1 and 2 have been investigated in the temperature range 2–300 K. Both compounds show weak but significant intermolecular antiferromagnetic interactions.
Creator
An entity primarily responsible for making the resource
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=300838f98061f526032e39f0b9df862d"><strong>González, Ricardo</strong></a>
<strong>Romero, Francisco</strong>
<strong>Luneau, D</strong>
<strong>Armentano, D</strong>
<strong>De Munno, G</strong>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=6f16399c452f7b13f8a01a148cb38e12"><strong>Kremer, Carlos</strong></a>
<strong>Lloret, F</strong>
<strong>Julve, M</strong>
<strong>Faus, J</strong>
Source
A related resource from which the described resource is derived
Inorganica Chimica Acta v. 358, no. 13, 2005. -- p. 3995-4002
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
2005
Rights
Information about rights held in and over the resource
<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
<p> </p>
Format
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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.ica.2005.06.066
Química Inorgánica
-
https://riquim.fq.edu.uy/files/original/87c664b2a061adc31e3c99f034031dc4.pdf
e178036d9674f251826713e8851bbff2
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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.
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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
<strong>A short Chemoenzymatic Synthesis of (+)-Narciclasine.</strong>
Subject
The topic of the resource
PANCRATISTATINA
TOLUENO DIOXIGENASA
QUIMICA ORGANICA
BIBLIOGRAFIA NACIONAL QUIMICA
1999
Abstract
A summary of the resource.
The title alkaloid has been synthesized in eight operations from dibromobenzene and o-vanillin, via enzymatic oxidation of the former compound, Suzuki coupling and a Bischler-Napieralski type cyclization as the key transformations.
Creator
An entity primarily responsible for making the resource
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=300838f98061f526032e39f0b9df862d"><strong>Gonzalez, D</strong></a>
<strong>Hudlicky, T</strong>
<strong>Martinot, T</strong>
Source
A related resource from which the described resource is derived
Tetrahedron Letters v. 40, , 1999. -- p. 3077-3080
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
1999
Rights
Information about rights held in and over the resource
<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
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/S0040-4039(99)00433-5
Pancratistatina
Química orgánica
Tolueno dioxigenasa
-
https://riquim.fq.edu.uy/files/original/362304a59069fd61db86e99c2c474cf8.pdf
e178036d9674f251826713e8851bbff2
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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
<strong>Structural and magnetic study of LaBaCoCuO5 +G.</strong>
Subject
The topic of the resource
MAGNETISMO
BIBLIOGRAFIA NACIONAL QUIMICA
2005
Creator
An entity primarily responsible for making the resource
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=8b1a957170f0b5988597d2cc3d6f732b"><strong>Suescun, L</strong></a>
<strong>Jones, C</strong>
<strong>Cardoso, C. A</strong>
<strong>Linn, J.</strong>
<strong>Toby, B</strong>
<strong>Araújo-Moreira, F.M</strong>
<strong>de Lima, O</strong>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Pardo, Helena</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=31ed37f6d0196c1ca18c1b4dfab6de76"><strong>Mombrú Rodríguez, Alvaro Washington</strong></a>
Source
A related resource from which the described resource is derived
Physical Review B. Cond. Matt. Mat. Phys. v. 71, no. 14, 2005. -- p. 144405/1-/9
Publisher
An entity responsible for making the resource available
The American Physical Society
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
<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
<p> </p>
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: 10.1103/PhysRevB.71.144405
Magnetismo
-
https://riquim.fq.edu.uy/files/original/b0744b041a6123914094c41ff91ed865.pdf
e178036d9674f251826713e8851bbff2
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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.
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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
<strong>Two absorption furosemide prodrugs.</strong>
Subject
The topic of the resource
FUROSEMIDA
PRODROGAS
ESTRUCTURA
BIBLIOGRAFIA NACIONAL QUIMICA
1999
Creator
An entity primarily responsible for making the resource
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=31ed37f6d0196c1ca18c1b4dfab6de76"><strong>Mombrú Rodríguez, Alvaro Washington</strong></a>
<strong>Mariezcurrena, R</strong>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=8b1a957170f0b5988597d2cc3d6f732b"><strong>Suescun, Leopoldo</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Pardo, Helena</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=4be67895997a04bff5e21d32915751e0"><strong>Manta, Eduardo</strong></a>
<strong>Prandi, Carolina</strong>
Source
A related resource from which the described resource is derived
Acta Crystallographica C v. C55, no. 3, 1999. -- p. 413-416
Publisher
An entity responsible for making the resource available
International Union of Crystallography
Date
A point or period of time associated with an event in the lifecycle of the resource
1999
Rights
Information about rights held in and over the resource
<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
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:10.1107/S010827019801213X
Estructura
Furosemida
Prodrogas
-
https://riquim.fq.edu.uy/files/original/67c14805e8428ed4fc0391c3b75edbc2.pdf
e178036d9674f251826713e8851bbff2
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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.
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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
<strong>Tris(1,10-phenanthroline) nickel(II)dinitrate thiourea monohydrate.</strong>
Subject
The topic of the resource
ESTRUCTURA CRISTALINA
COMPLEJOS
FENANTROLINA
TIOUREA
NITRATO
BIBLIOGRAFIA NACIONAL QUIMICA
1999
Creator
An entity primarily responsible for making the resource
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=8b1a957170f0b5988597d2cc3d6f732b"><strong> Suescun, Leopoldo</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=31ed37f6d0196c1ca18c1b4dfab6de76"><strong>Mombrú Rodríguez, Alvaro Washington</strong></a>
<strong>Mariezcurrena, R</strong>
Source
A related resource from which the described resource is derived
Acta Crystallographica v. C55, no. P12, 1999. -- p. 1991-93
Publisher
An entity responsible for making the resource available
International Union of Crystallography
Date
A point or period of time associated with an event in the lifecycle of the resource
1999
Rights
Information about rights held in and over the resource
<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
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:10.1107/S0108270199011312
Complejos
Estructura cristalina
Fenantrolina
Nitratos
Tiourea
-
https://riquim.fq.edu.uy/files/original/542acbe54d39b81f68926d666d0d7043.pdf
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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.
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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
<strong>Structural transition in the La2-xNdxCuO4 system.</strong>
Subject
The topic of the resource
ESTRUCTURA
TRANSICION
URUGUAY
BIBLIOGRAFIA NACIONAL QUIMICA
1998
Abstract
A summary of the resource.
The structural transition in the La2−xNdxCuO4system is studied through thex=0.45, 0.5 compositions, using neutron powder diffraction. Both compositions could be refined as biphasic systems represented by theI4/mmmand theAbmaspace groups. The presence of T and T′ phases could be observed in both compositions. The apical oxygen atom in the copper coordination octahedron can be regarded as the key for structural distortion causing the transition from T to T′ structures.
Creator
An entity primarily responsible for making the resource
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=31ed37f6d0196c1ca18c1b4dfab6de76"><strong>Mombrú Rodríguez, Alvaro Washington</strong></a>
<strong>Lappas, A</strong>
<strong> Prassides, K</strong>
Source
A related resource from which the described resource is derived
Journal of Solid State Chemistry v. 140, , 1998. -- p. 345-349
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
1998
Rights
Information about rights held in and over the resource
<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
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PDF
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doi:10.1006/jssc.1998.7898
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Uruguay
Estructura
Transición
Uruguay
-
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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.
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Departamento de Documentación y Biblioteca
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Title
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<strong>Electronic and structural distortions in graphene induced by carbon vacancies and boron doping.</strong>
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TERMODINAMICA
GRAFENO
BIBLIOGRAFIA NACIONAL QUIMICA
2010
Abstract
A summary of the resource.
We present an ab initiosDFT/GGAsstudy on the structural and electronic distortions of modified graphene by the creation of vacancies, the inclusion of boron atoms, and the coexistence of both, by means of total energy and band structure calculations. In the case of coexistence of boron atoms and vacancy, the modified graphene presents spin polarization only when B atoms locate far from vacancy. Thus, when a boron atom fills single and divacancies, it suppresses the spin polarization of the charge density. In particular, when B atoms fill a divacancy, a new type of rearrangement occurs, where a stable BC4 unit is formed inducing important out-of-plane distortions to graphene. All these findings suggest that new chemical modifications to graphene and new types of vacancies can be used to modify its electronic properties.
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=fc7cd71892b1a9968ee19230dafdbd01"><strong>Faccio, Ricardo</strong></a>
<strong>Fernández Werner, Luciana</strong>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Pardo, Helena</strong></a>
<strong>Goyenola, Cecilia</strong>
<strong><a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346">Ventura, Oscar N</a></strong>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=31ed37f6d0196c1ca18c1b4dfab6de76"><strong>Mombrú, Alvaro W</strong></a>
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Journal of Physical Chemistry C v. 114, no. 44, 2010. -- p. 18961-18971
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American Chemical Society
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2010
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PDF
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doi: 10.1021/jp106764h
Grafeno
Termodinámica
-
https://riquim.fq.edu.uy/files/original/1f1a3d12566fd470453178d4b75236b6.pdf
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Title
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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
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Departamento de Documentación y Biblioteca
RIQUIM
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Title
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<p><strong>Magnetic Structure of the Oxygen-Deficient perovskite YBaCuFeO5+d.</strong></p>
<p> </p>
Subject
The topic of the resource
PEROVSKITAS
ESTRUCTURA
MAGNETICA
BIBLIOGRAFIA NACIONAL QUIMICA
1994
Abstract
A summary of the resource.
The magnetic and crystal structures of the oxygen-deficient layered perovskite YBaCuFeO[sub 5+[delta]] have been determined with powder neutron diffraction methods. It crystallizes in the noncentrosymmetric tetragonal space group P4mm with a = 3.870(2) [angstrom] (at room temperature). Structural motifs of corner-sharing severely elongated CuO[sub 5] (Cu-O[sub eq] = 1.936(2) [angstrom], Cu-O[sub ax] = 2.35(9) [angstrom]) and slightly squashed FeO[sub 5] (Fe-O[sub eq] = 2.03(3) [angstrom], Fe-O[sub ax] = 1.82(9) [angstrom]) square pyramids result in a novel lamellar structure with ordered oxygen defects. Local magnetic moments directed perpendicular to the unique axis ([mu] perpendicular to c, [mu] = 2.51(15) [mu][sub B] at room temperature) appear at the Fe[sup 3+] sites at 442.4(5) K. The magnetic unit cell results by doubling the chemical one along all three crystallographic directions (magnetic propagation vector, k = (1/2,1/2,1/2)). Despite the long separation between successive FeO[sub 2] layers ([approximately]7.7 [angstrom]), the magnetic behavior can be successfully described by a three-dimensional Heisenberg spin Hamiltonian with a critical exponent [beta] = 0.366(8). No evidence of ordering of the Cu sublattice is found on cooling to room temperature.
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=31ed37f6d0196c1ca18c1b4dfab6de76"><strong>Mombrú, Alvaro W</strong></a>
<strong> Christides, C</strong>
<strong>Lappas, A</strong>
<strong> Prassides, K</strong>
<strong>Pissas, M</strong>
<strong>Mitros, C</strong>
<strong> Niarchos, D</strong>
Source
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Inorganic Chemistry v. 33, no. 7, 1994. -- p. 1255-1258
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American Chemical Society
Date
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1994
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
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DOI: 10.1021/ic00085a008
Estructura
Magnética
Perovskitas
-
https://riquim.fq.edu.uy/files/original/aa0fdf6765deda96e0b7ea7c7ec5920c.pdf
e178036d9674f251826713e8851bbff2
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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
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Departamento de Documentación y Biblioteca
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<strong>Labeling the defects of carbon nanotubes with thiol groups.</strong>
Subject
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NANOTUBOS DE CARBONO
ATOMOS
CINETICA DE REACCION
MICROSCOPIA ELECTRONICA
BIBLIOGRAFIA NACIONAL QUIMICA
2010
Abstract
A summary of the resource.
Herein, we investigate the reactivity of perfect and defective single-wall carbon nanotubes (SWCNTs) with the SH group using first principle periodic calculations. The presence of Stone–Wales (SW) defect sites significantly increases the reactivity of SWCNTs against the thiol group. The most reactive site for the addition of the SH radical is the single vacancy defect; the sulfur atom reconstructs the SWCNT framework and the hydrogen atom becomes attached to a carbon atom. The cluster model calculations performed for perfect SWCNTs confirmed a very low reactivity with the thiol group, even for the small diameter and metallic SWCNTs. The reaction between the perfect SWCNT and SH results thermodynamically unfavorable. The different reactivities observed for perfect and defective SWCNTs suggest that the SH group can be employed to perform a chemical labeling of the defect sites present in carbon nanotubes. The SH radical group is quite unique because, even though it has an unpaired electron, it does not react with sp2 carbon frameworks, unless they have defects or curvature similar to C60. The results are discussed in terms of the recent experimental investigations about thiolated SWCNTs. We were able to explain the Transmission Electron Microscopy images of thiolated nanotubes and the lack of reactivity at the tips. Finally, we discuss a possible route to synthesize sulfur-doped SWCNTs using thiol groups and their electronic properties.
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A.</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=fd97168d9e8b7d3f82474969b5b78453"><strong>Gancheff, Jorge S.</strong></a>
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Journal of Materials Science v. 45, no. 4, 2010. -- p. 1039-1045
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Springer
Date
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2010
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
<p> </p>
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DOI 10.1007/s10853-009-4038-y
Ätomos
Cinética de reacción
Microcospía electrónica
nanotubos de carbono
-
https://riquim.fq.edu.uy/files/original/9493b5fc9c0585c0a6132346883c3306.pdf
e178036d9674f251826713e8851bbff2
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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
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Departamento de Documentación y Biblioteca
RIQUIM
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If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
PDF
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Title
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<strong>Band gap opening of monolayer and bilayer graphene doped with aluminium, silicon, phosphorus, and sulfur.</strong>
Subject
The topic of the resource
GRAFENO
QUÍMICA FÍSICA
BIBLIOGRAFIA NACIONAL QUÍMICA
2010
Abstract
A summary of the resource.
The chemical doping of monolayer and bilayer graphene with aluminium, silicon, phosphorus and sulfur was investigated. Si-doped graphene has the lowest formation energy although it is semimetallic. P-doped graphene has a magnetic moment of 1 lB and for 3 at.% of doping the band gap is 0.67 eV. Al-doped graphene is very unstable but it is an attractive material because it is metallic. To reduce the formation energies of the substitutional defects we investigated the formation of interlayer bonds in bilayer graphene. Phosphorus forms the strongest bonds between layers giving particular stability to this material. P-doped bilayer graphene has a gap of 0.43 eV but it is has no magnetic moment.
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A.</strong></a>
Source
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Chemical Physics Letters v. 492, no. 4-6, 2010. -- p. 251 -257
Publisher
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Elsevier
Date
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2010
Rights
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
<p> </p>
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doi:10.1016/j.cplett.2010.04.038
Grafeno
Química Física
-
https://riquim.fq.edu.uy/files/original/c557626eedf67c567644a49104e7e64b.pdf
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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.
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If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
PDF
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Title
A name given to the resource
<strong>Ab initio and density functional study of Thionitroso XNS and Thiazyl isomers XSN : |b X = H,F,CL,Br,OH,SH,NH2,CH3,CF3.</strong>
Subject
The topic of the resource
QUIMICA FISICA
BIBLIOGRAFIA NACIONAL QUIMICA
2004
Abstract
A summary of the resource.
Standard enthalpies of formation of several thionitroso (XNS) and thiazyl (XSN) isomers, with X = H, F, Cl, Br, OH, SH, NH2, CH3, CF3, and SiF3, were determined using coupled cluster (CC) theory with Dunning's correlation consistent basis sets cc-pVXZ and aug-cc-pV(X+d)Z, G3 and CBS-QB3 model chemistries, as well as the B3LYP DFT method. The results support the idea that the electronegativity of the bonding atom in the substituent is correlated, albeit not perfectly, with the relative stability of the XNS over the XSN isomer. A detailed study was performed on the parent isomers HNS and HSN. They exhibit a singlet 1A‘ ground state (as all the other molecules) at 5.4 and 9.4 kcal/mol below their first excited 3A‘ ‘ state, respectively (CCSD(T)/CBS calculations). The enthalpies of formation of the isomers at the CCSD(T)/CBS limit, including core valence correlation, and spin−orbit splitting, are ΔfH°298(HNS) = 55.3 ± 1 kcal/mol and ΔfH°298(HSN) = 75.4 ± 1 kcal/mol. The activation energy at 0 K for the HNS → HSN isomerization was determined as 63.0 and 64.2 kcal/mol at the CCSD(T)/CBS and B3LYP/6-311+G(3df,2p) levels of theory, respectively. Additional calculations were performed for the cationic isomeric pairs XNS+/XSN+ with the general result that ionization increases the relative stability of the thionitroso isomer with respect to the thiazyl isomer. In the cases of ClSN and BrSN, for which the thiazyl isomer is the most stable neutral species, the thionitroso isomer is more stable for the cations. The average deviation of the B3LYP/6-311+G(3df,2p) ionization potentials with respect to the G3 model chemistry is only 0.1 eV.
Creator
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A.</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346"><strong>Ventura, Oscar N</strong></a>
<strong>Mai, H</strong>
<strong>Nguyen, M</strong>
Source
A related resource from which the described resource is derived
Journal of Physical Chemistry A v. 108, no. 23, 2004. -- p. 5073-5080
Publisher
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American Chemical Society
Date
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2004
Rights
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
<p> </p>
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DOI: 10.1021/jp0498466
Química Física
-
https://riquim.fq.edu.uy/files/original/bff7d30536444bc596f2a081924c3243.pdf
e178036d9674f251826713e8851bbff2
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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.
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Departamento de Documentación y Biblioteca
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Title
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<strong>On the enthalpy of formation of thiophene</strong>
Subject
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COMPUESTOS DE AZUFRE TIOFENO
BIBLIOGRAFIA NACIONAL QUIMICA
2010
Abstract
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Abstract Thiophene is an important contaminant of petroleum-derived fuels, and it also plays an important role in molecular electronics. We have calculated the enthalpy of formation of thiophene employing the CCSD(T) methodology and the cc-pV(X ? d)Z X = T,Q,5 basis sets. At the CCSD(T)/CBS limit and including corrections for scalar relativistic effects, anharmonic effects, spin–orbit and core-valence correlation effects, the estimated enthalpy of formation is 25.15-1 ?0.5 kcal/mol. Our estimation is 2.3 kcal/mol lower than the experimental value. The discrepancies between experiment and theory are expected to be increased if higher-order correlation effects are taken into account. Thus, a new determination of the experimental value is highly recommended. Finally, we discuss the problems faced to make this estimation, in particular the determination of accurate Zero-point energy corrections and the evaluation of core-valence correlation effects.
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A</strong></a>
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Theoretical Chemistry Accounts v. 127, no. 5-6, 2010. -- p. 621-626
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Springer
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2010
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
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DOI 10.1007/s00214-010-0759-x
Compuestos de azufre Tiofeno
-
https://riquim.fq.edu.uy/files/original/781170b0b6bd8ff04ed126a514710dc0.pdf
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Title
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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.
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Departamento de Documentación y Biblioteca
RIQUIM
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Title
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<strong>Theoretical investigation of ionized HSO and SOH.</strong>
Subject
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QUIMICA ATMOSFERICA
BIBLIOGRAFIA NACIONAL QUIMICA
2010
Abstract
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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.
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A</strong></a>
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Molecular Physics v. 108 , no. 13, 2010. -- p. 1739-1747
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Taylor and Francis
Date
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2010
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
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DOI: 10.1080/00268976.2010.489526
Química atmosférica
-
https://riquim.fq.edu.uy/files/original/eae47b86cac082b96b7fbcf9ab89127d.pdf
e178036d9674f251826713e8851bbff2
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Title
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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
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Departamento de Documentación y Biblioteca
RIQUIM
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Title
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<strong>The enthalpy of formation of the HSO radical revisited.</strong>
Subject
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QUIMICA CUANTICA
BIBLIOGRAFIA NACIONAL QUIMICA
2005
Abstract
A summary of the resource.
The enthalpy of formation of the HSO and SOH radicals has been determined employing the CCSD(T) methodology with the aug-cc-pV(X+d)Z basis sets X = D,T,Q,5. Our best estimations are View the MathML sourceΔHf,2980(HSO)=-5.2±0.5andΔHf,2980(SOH)=-1.6±0.5kcal/mol. The procedure employed to determine those values involves, extrapolation to the CBS limit, a correction for core-valence and relativistic effects. This result is in reasonable agreement with our previous estimations [Int. J. Quant. Chem. 80 (2000) 439] −6.6 and −1.6 kcal/mol for HSO and SOH, respectively. However, it is larger than the lower bound recently estimated by Balucani et al. [JPC. 120 (2004) 9571] −3.0 kcal/mol at 0 K (−3.7 kcal/mol at 298 K).
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A</strong></a>
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Chemical Physics Letters v. 402, no. 4-6, 2005. -- p. 289-293
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Elsevier
Date
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2005
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
<p> </p>
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doi:10.1016/j.cplett.2004.12.001
Química cuántica
-
https://riquim.fq.edu.uy/files/original/be4d55459e56ad3b232c0f4dae7f29ac.pdf
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Title
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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
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Title
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<strong>Basis set requirements for sulphur compounds in density functional theory : a comparison between correlation consistent polarized consistent.</strong>
Subject
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QUIMICA TEORICA
BIBLIOGRAFIA NACIONAL QUIMICA
2005
Abstract
A summary of the resource.
We have investigated the SX (X ) first- or second-row atom), SO2, and SO3 molecules employing the correlation-consistent (cc), the recently developed polarization-consistent (pc), and three Pople-type basis sets, in conjunction with the B3LYP functional. The results confirmed that the aug-pc basis sets represent a great contribution in terms of cost-benefits. In the case of the B3LYP functional, when employing the aug-pc-3 and aug-pc-4 basis sets, it is possible to obtain results that are of aug-cc-pV(5+d)Z and aug-cc-pV(6+d)Z quality, respectively, at a much lower cost. The estimations obtained employing smaller members of the family are of nearly double-ú quality and do not provide reliable results. There is no basis set of quadruple-ú quality among the polarized-consistent basis sets, although in terms of composition, the augpc- 3 basis set is a QZ basis set. A precise estimation of the Kohn-Sham complete basis set (CBS) limit with the aug-pc-X basis sets is too difficult for the B3LYP functional because the ¥(aug-pc-4, aug-pc-3, aug-pc-2) extrapolation gives the same results as those of the aug-pc-4 basis set. This is in contrast with the results observed for ab initio methodologies for which the largest basis sets provided the best estimation of the CBS limit. In our opinion, the closest results to the B3LYP/CBS limit are expected to be those obtained with a two-point extrapolation employing the aug-cc-pV(X+d)Z (X ) 5, 6) basis sets. The results obtained with this extrapolation are very close to those predicted by the ¥(aug-pc-3, aug-pc-2, aug-pc-1) extrapolation, and that provides a cheaper but more inaccurate alternative to estimate the CBS limit. Minor problems were found for the aug-pc-X basis sets and the B3LYP functional for molecules in which sulfur is bound to a very electronegative element, such as SO, SF, SO2, and SO3. For these molecules, the cc basis sets were demonstrated to be more useful. The importance of tight d functions was observed; the total atomization energy of SO2 employing the cc-pV6Z basis set is 1 kcal/ mol lower than that obtained with the aug-cc-pV(6+d)Z basis set.
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A</strong></a>
Source
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Journal of Chemical Theory and Computation v. 1, no. 5, 2005. -- p. 900-907
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American Chemical Society
Date
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2005
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
<p> </p>
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doi: 10.1021/ct0500702
Química teórica
-
https://riquim.fq.edu.uy/files/original/99c37b5c2ba61e74aaf3fe3563838aa7.pdf
e178036d9674f251826713e8851bbff2
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Title
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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
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Departamento de Documentación y Biblioteca
RIQUIM
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Title
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<strong>On the performance of CCSD(T) and CCSDT in the study of molecules with muticonfigurational character : halogen oxides.</strong>
Subject
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QUIMICA FISICA
BIBLIOGRAFIA NACIONAL QUIMICA
2004
Abstract
A summary of the resource.
Coupled cluster theory and Dunning’s correlation consistent basis sets have been employed to determine the View the MathML sourceΔHf,2980 of some halogen oxides XO, XOO and OXO X = F, Cl, Br. The estimated View the MathML sourceΔHf,2980 of the XO radicals, OClO and OBrO are within ±1 kcal/mol of the experimental results available. However those of ClOO and BrOO exhibit large errors when they are estimated with the atomization reaction. Our revisited View the MathML sourceΔHf,2980(FOO) including scalar relativistic effects and spin–orbit splitting is View the MathML sourceΔHf,2980(FOO)=7.5kcal/mol, 1–2 kcal/mol larger than the experimental results. For all the molecules considered CCSDT increased the binding energies, improving the agreement with the experimental estimations, except five molecules HSO, OClO, OBrO, BN 1Σ+ and O3. The correction of the CCSD(T) geometries for the missing triple excitations elongates the equilibrium bond lengths, improving the agreement with the experimental determinations for the XO radicals and both states of BN (1Σ+ and 3Π). The present results confirms that for some particular systems, such us the XO, XOO radicals, and hypervalent molecules like OFO, the CCSDT method is preferred over CCSD(T) to predict their thermochemistry and structural parameters.
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A</strong></a>
Source
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Chemical Physics Letters v. 395, , 2004. -- p. 12-20
Publisher
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Elsevier
Date
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2004
Rights
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
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PDF
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Inglés
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Artículo
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doi:10.1016/j.cplett.2004.07.012
Química Física
-
https://riquim.fq.edu.uy/files/original/e9d9b0421cd50f72060f594557347ed4.pdf
36940876b8ae9bd5f5fc7c00f79b1416
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3
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115
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Bibliografía Nacional Química
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Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
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Departamento de Documentación y Biblioteca
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<strong>Systematic Coupled Cluster, Brueckner Coupled Cluster, G3, CBS-QB3, and DFT Investigation of SX Diatomics; X ) First- or Second-Row Atom.</strong>
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QUIMICA FISICA
BIBLIOGRAFIA NACIONAL QUIMICA
2004
Abstract
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The SX diatomics, X = first- or second-row atom, have been studied employing coupled cluster theory and the aug-cc-pV(X+d)Z basis sets. To estimate ΔfH°298, we have included a correction for core−valence (CV) correlation, spin−orbit splitting, and scalar-relativistic (SR) effects. For SO and SC, the estimated ΔfH°298 values are 0.5 kcal/mol within the experiment. However, for the remaining molecules, a revision of their ΔH°f,298 are required. Deviations as large as 10 kcal/mol have been found between our best estimates and the values adopted by the NIST-JANAF tables. The proposed ΔfH°298 (±0.5kcal/mol) are 67.6 (SB), 66.7 (SN), 0.8 (SF), 47.4 (SAl), 27.9 (SSi), 38.1 (SP), 29.4 (S2), and 27.1 (SCl) kcal/mol. For comparative purposes we performed BD(T), G3, CBS-QB3, B3LYP, and B3PW91 calculations. The mean absolute error (MAE) of the G3 and CBS-QB3 ΔfH°298 with respect to our best results is 1.0 kcal/mol for both methodologies, whereas for B3LYP/6-311+G(3df) and B3PW91/6-311+G(3df), the MAE is 1.6 and 2.0 kcal/mol, respectively. At the coupled cluster level of theory, with respect to the experiment, the MAE of the equilibrium bond lengths is 0.0013 and 0.0012 Å for the first- and second-row SX, respectively. This result involves extrapolation to the CBS limit, a correction for CV and SR effects, and also a correction for complete triple excitations. Two molecules presented an unstable HF wave function, SN and SP. In both cases, the use of the CCSDT and BD(T) methods outperformed CCSD(T). Our spin−orbit corrected coupled cluster adiabatic electron affinities (EAad) are ±0.7 kcal/mol within the experiment for SN, SO, SF, and S2. However, some discrepancies were found for SC and SAl. Our best estimates are EAad(SC) = 2.3 kcal/mol and EAad(SAl) = 62.5 kcal/mol, 2.4 and 1.6 kcal/mol larger than the experimental EAad, respectively. For SB, SSi, SP, and SCl, we propose new EAad of 53.7, 12.4, 36.5, and 59.0 kcal/mol, respectively. The MAE of the CBS-QB3 and G3 EAad with respect to our estimated EAad is 0.9 kcal/mol for both methodologies, whereas for B3LYP/6-311+G(3df) and B3PW91/6-311+G(3df), the MAE are 1.9 and 2.7 kcal/mol, respectively, but 50% of the error is provided only by SC and SN. Systematic Coupled Cluster, Brueckner Coupled Cluster, G3, CBS-QB3, and DFT Investigation of SX Diatomics; X = First- or Second-Row Atom - ResearchGate. Available from: http://www.researchgate.net/publication/231639185_Systematic_Coupled_Cluster_Brueckner_Coupled_Cluster_G3_CBS-QB3_and_DFT_Investigation_of_SX_Diatomics_X__First-_or_Second-Row_Atom [accessed Apr 16, 2015].
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A</strong></a>
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Journal of Physical Chemistry v. 108, 2004. -- p. 11092-11100
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American Chemical Society
Date
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2004
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
<p> </p>
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DOI: 10.1021/jp047834e
Química Física
-
https://riquim.fq.edu.uy/files/original/f965c2a297390cfbb971dbde2510bbb9.pdf
e178036d9674f251826713e8851bbff2
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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.
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Departamento de Documentación y Biblioteca
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Title
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<strong>CCSDT study of the fluoroperoxyl radical : FOO</strong>
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QUIMICA FISICA
BIBLIOGRAFIA NACIONAL QUIMICA
2004
Abstract
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The FOO radical was studied at the coupled-cluster (CC) theoretical level, employing both the perturbative calculation of the contribution of triple excitations, CCSD(T), and the exact evaluation, CCSDT. Two solutions were found, one of them with a large spin contamination. It is shown that spin contamination is a problem at the CCSD(T) level, while it is largely inmaterial at the complete CCSDT level. The full CCSDT level affords an FO distance of 1.632 ± 0.005 Å in reasonable agreement to experiment. The enthalpy of formation at the uncontaminated CCSDT level, ΔfH0298(FOO)=6.5±1 kcal/mol, is also in very good agreement with the experimental value of 6.24 ± 0.5 kcal/mol. Contrary to previous studies, CCSDT performs better than CCSD(T) in the calculation of the properties of this radical.
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346"><strong>Ventura, Oscar N</strong></a>
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Chemical Physics Letters v. 385, no. 3-4, 2004. -- p. 292-297
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Elsevier
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2004
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
<p> </p>
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doi:10.1016/j.cplett.2003.12.081
Química Física
-
https://riquim.fq.edu.uy/files/original/b307b3bcf895ba137782fcaac24a4a50.pdf
e178036d9674f251826713e8851bbff2
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Title
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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
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Departamento de Documentación y Biblioteca
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Title
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<strong>Density functinal investigation of atmospheric sulfur chemistry. II. The heat of formation of the XSO2 radicals X=H : CH3.</strong>
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AZUFRE
ATMOSFERA
BIBLIOGRAFIA NACIONAL QUIMICA
2001
QUIMICA ATMOSFERICA
Abstract
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The ΔfH0 (298 K) of HSO2 is estimated as through calculations using Dunning's basis sets up to cc-pV6Z and Pople's 6-311+G(3df,2p). This estimation differs from previous G2 calculations and from our own G3 result of −37.1 kcal/mol. Similarly, the ΔfH0 (298 K) CH3SO2 is estimated as −56.3 kcal/mol, in good agreement with Benson's prediction, −55.0 kcal/mol, and again in disagreement with the G2 value, −47.6 kcal/mol. Finally, we propose a revision of the enthalpy of formation of the CH3S radical. On the basis of the density functional theory (DFT) calculations, we propose a value of , slightly lower than the presently accepted value of .
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346"><strong>Ventura, O.N</strong></a>
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Chemical Physics Letters v. 344, no. 1-2, 2001. -- p. 221-228
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Elsevier
Date
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2001
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<strong>ADVERTENCIA</strong> - 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.
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doi:10.1016/S0009-2614(01)00684-4
Atmósfera
Azufre
-
https://riquim.fq.edu.uy/files/original/640a8e77842ddb7c8d093636602acbbd.pdf
e178036d9674f251826713e8851bbff2
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Title
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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
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Departamento de Documentación y Biblioteca
RIQUIM
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Title
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<strong>Hydroxamic chelates of boric acid a density functional study.</strong>
Subject
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ACIDO BORICO
BIBLIOGRAFIA NACIONAL QUIMICA
2001
Abstract
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A density functional study of the neutral and ionic chelates of boric acid with formohydroxamic acid is performed. Optimum structures were determined for the chelates, and the IR spectrum for the bis(hydroxamate) boron chelate was compared to the experimental spectrum obtaining an excellent agreement. Two bands that were unassigned experimentally were identified with the aid of the theoretical calculations. The enthalpies of formation of formohydroxamic acid (−50.2±2 kcal/mol) as well as those of the bis(hydroxamate), hydroxamate–hydroximate and bis(hydroximate) boron chelates (3.8±2, −145±2 and −155±2 kcal/mol, respectively) were determined.
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346"><strong>Ventura, O</strong></a>
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Journal of Molecular Structure v. 537, , 2001. -- p. 173-180
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Elsevier
Date
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2001
Rights
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<strong>ADVERTENCIA</strong> - 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.
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doi:10.1016/S0166-1280(00)00674-6
Ácido bórico
-
https://riquim.fq.edu.uy/files/original/c8d74f9c34d39d95ae64b2072d71c7b4.pdf
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Title
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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
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If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
PDF
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Title
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<strong>Thiophene adsorption on Single Wall Carbon Nanotubes and graphene.</strong>
Subject
The topic of the resource
CARBON
NANOTECNOLOGIA
NANOTUBOS
GRAFENO
BIBLIOGRAFIA NACIONAL QUIMICA
2010
Abstract
A summary of the resource.
We investigated the adsorption of thiophene inside and outside Single Wall Carbon Nanotubes (SWCNTs) and onto graphene, employing periodic boundary conditions and the VDW-DF and LDA methodologies. The results indicate that thiophene adopts a nearly parallel configuration with respect to the graphene plane. The sulfur atom is 3.7 Å above the sheet, whereas the two hydrogen atoms located in carbon atoms not bonded to sulfur are 3.45 Å above it. The adsorption energy for this configuration is 8.9 kcal/mol, smaller a value than the one determined for benzene. For the T-shaped configurations the potential energy surface is very flat showing different orientations with similar interaction energies. When two hydrogen atoms are positioned over a CC bond the binding energy is 5.2 kcal/mol. However, when the sulfur atom is over a hexagon, the interaction energy reaches its minimum value. The vibrational frequencies of thiophene are red-shifted when it is adsorbed on graphene being the intensity of the most prominent peak in the IR spectra increased by 34% and red-shifted by 14 cm�1. For the adsorption on carbon nanotubes, the internal adsorption energies are larger than the external ones, although the former decreases rapidly as the tube radius is increased. The orientation of the thiophene molecule inside a SWCNT strongly depends on the diameter of the tube. The charge transfer between thiophene and the carbon nanostructures is minimal thus the electronic properties are not affected by the adsorption.
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24">Denis, Pablo A</a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=61cb9707d2f1b34e7a18f0e5255264e0">Iribarne Restuccia, Federico Pablo</a>
Source
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Journal of Molecular Structure : THEOCHEM no 957, 2010. -- p. 114-119
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Elsevier
Date
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2010
Rights
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
<p> </p>
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doi:10.1016/j.theochem.2010.07.020
Carbon
Grafeno
Nanotecnología
Nanotubos
-
https://riquim.fq.edu.uy/files/original/3f8420408dc3d88728ae987d4e095513.pdf
e178036d9674f251826713e8851bbff2
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Title
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Bibliografía Nacional Química
Description
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Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
Contributor
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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
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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
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<strong>Screening of Uruguayan medicinal plants for antimicrobial activity.</strong>
Subject
The topic of the resource
PLANTAS MEDICINALES
URUGUAY
ANTIINFECCIOSOS
BIBLIOGRAFIA NACIONAL QUIMICA
1996
Creator
An entity primarily responsible for making the resource
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=372ba66b2e8f48a432b33acb775b8e43"><strong>Alonso Paz, E</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=52e013818d1066562588b928cb60fb7d"><strong>Cerdeiras, M.P</strong></a>
<strong>Fernández, J</strong>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=06ea8350d5f6e14cde5d4fa22f5ff626"><strong>Ferreira, F</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=1424ef7476f5da983ef6cd034fcf13fe"><strong>Moyna, P</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=250c85d1dca64d55cea187f29d9c4472"><strong>Soubes, M</strong></a>
<a title="Curriculum" href="http://www.ccdt.udelar.edu.uy/wp-content/themes/corpo/adjuntos/604_curriculumvitae__curriculumvitaearchivo.pdf"><strong>Vázquez, A</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=2ee2943f561ea4e269669831d86e6b58"><strong>Vero, S</strong></a>
<strong> Zunino, L</strong>
Source
A related resource from which the described resource is derived
Journal of Ethnopharmacology v. 45, no. 1, 1995. -- p. 67-70
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
1995
Rights
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
Format
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PDF
Language
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Inglés
Type
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Artículo
Identifier
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doi:10.1016/0378-8741(94)01192-3
Coverage
The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant
Uruguay
Antiinfecciosos
Plantas medicinales
Uruguay
-
https://riquim.fq.edu.uy/files/original/eb2ae38c2ff18f60be0b8a4e133bda14.pdf
e178036d9674f251826713e8851bbff2
https://riquim.fq.edu.uy/files/original/838cb9ff667b0ec99dd19b8bdb4e8c03.gif
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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
112
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
<strong>Clytostoma callistegioides (Bignoniaceae) wax extract with activity on aphid settling.</strong>
Subject
The topic of the resource
ACIDOS GRASOS
CERAS
ECOLOGIA
CLYTOSTOMA CALLISTEGIOIDES
BIGNONIACEAE
BIBLIOGRAFIA NACIONAL QUIMICA
2010
Abstract
A summary of the resource.
A bioassay-guided fractionation of leaf extracts from Clytostoma callistegioides (Cham.) Bureau ex Griseb. (Bignoniaceae) led to isolation of a natural mixture of four fatty acids with anti-insect activity against aphids. The compounds were identified by GC–MS as palmitic, stearic, linoleic and linolenic acids and quantified as their methyl esters. The anti-aphid activity of the natural mixture was traced to linolenic and linoleic acids, as shown by the settling inhibition activity of synthetic samples. Interestingly, the saturated acids (palmitic and stearic) tested alone stimulated settling on one of the tested aphids (Myzus persicae), but not on the other tested species (Rhopalosiphum padi). Although ubiquitous, none of these free acids have been previously reported in this Bignoniaceae species. The leaf surface chemistry, which is likely involved in modulating aphid settling behavior, was further investigated for the occurrence of lipophilic substances by histochemical staining. Short, stalked glandular trichomes, previously undescribed for this species, stained with osmium tetroxide and Sudan III, suggesting that the secretion of the defensive acids is related to these surface trichomes.
Creator
An entity primarily responsible for making the resource
<strong>Castillo, Lucía</strong>
<strong>Díaz, Martina</strong>
<strong>González-Coloma, Azucena</strong>
<a title="Curiculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=8ca340da794ac0eade285d2d2721ec5d"><strong>González, Andrés</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=372ba66b2e8f48a432b33acb775b8e43"><strong>Alonso Paz, Eduardo</strong></a>
<strong>Bassagoda, María Julia</strong>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=63c7278e427f54030d12381fe641add3"><strong>Rossini, Carmen</strong></a>
Source
A related resource from which the described resource is derived
Phytochemistry v. 71, no. 17-18, 2010. -- p. 2052-2057
Publisher
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Elsevier
Date
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2010
Format
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PDF
Language
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Inglés
Type
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Artículo
Identifier
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doi:10.1016/j.phytochem.2010.08.016
Ácidos grasos
Bignoniaceae
Ceras
Clytostoma Callistegioides
Ecología
-
https://riquim.fq.edu.uy/files/original/ffc22195b3c881713203690a54fb6c30.pdf
e178036d9674f251826713e8851bbff2
https://riquim.fq.edu.uy/files/original/e41c5d7d07e0e73a6c78e3f7f34c12e4.jpg
495f2217ba277132941ed0623f6c5d22
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
232
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
<strong>Selenite and selenate speciation in natural waters : Interaction with divalent metal ions.</strong>
Subject
The topic of the resource
SELENITA
METALES IONICOS
AGUA
BIBLIOGRAFIA NACIONAL QUIMICA
2010
Abstract
A summary of the resource.
<p>Selenium is a trace element of environmental relevance. Studies on its solution chemistry are scarce and were mostly carried out under experimental conditions of little relevance to environmental research. Thus, we have performed new studies of selenium speciation in solutions of low ionic strength, in contrast to those prevailing in the literature data. In this work, potentiometric titrations (at 20.0 °C, and I = 0.15 mol·L−1 NaClO4) were carried out for systems containing Se(VI) or Se(IV) oxyanions and divalent metal ions (Mg, Ca, Sr, Ba, Mn, Fe, Co, Ni, Cu, Zn, Cd, Hg, and Pb). Ion pairs such as [M(SeO4)] and [M(HSeO4)2], or [M(HSeO3)]+ and [M(SeO3)], exist in solutions. The data reported here provide the basis for determining selenium speciation in natural aquatic systems, on which the bioavailability and toxicity of this element depends.</p>
Creator
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<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=b1b8a8c8b1a5835b874ac1994003c38d"><strong>Torres, J</strong></a>
<strong>Pintos, V</strong>
<strong>Domínguez, S</strong>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=6f16399c452f7b13f8a01a148cb38e12"><strong>Kremer, Carlos</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=37cace18c8d1da50d33d6bd4f8f1a607"><strong>Kremer, Eduardo</strong></a>
Source
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Journal of Solution Chemistry v. 39, no. 1, 2010. -- p. 1-10
Publisher
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Springer
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
<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
<p> </p>
Format
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PDF
Language
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Inglés
Type
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Artículo
Identifier
An unambiguous reference to the resource within a given context
DOI 10.1007/s10953-009-9491-3
Metales iónicos
Selenita
-
https://riquim.fq.edu.uy/files/original/d1e0236eb81ee68cbc4956456c3b491c.pdf
e178036d9674f251826713e8851bbff2
https://riquim.fq.edu.uy/files/original/e773041d15900afedc7c4899f093ec42.gif
b14eb85029ad0ad45a01e85e1510fc86
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
113
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
<strong>Sm III complexation with biologically active ligands.</strong>
Subject
The topic of the resource
COMPLEJOS
QUIMICA INORGANICA
BIBLIOGRAFIA NACIONAL QUIMICA
2001
Creator
An entity primarily responsible for making the resource
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=37cace18c8d1da50d33d6bd4f8f1a607"><strong>Kremer, Eduardo</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=b1b8a8c8b1a5835b874ac1994003c38d"><strong>Torres, Julia</strong></a>
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=6f16399c452f7b13f8a01a148cb38e12"><strong> Kremer, Carlos</strong></a>
<strong>Domínguez, Sixto</strong>
<strong> Mederos, A</strong>
<strong>Arrieta, J. M</strong>
Source
A related resource from which the described resource is derived
Journal of Inorganic Biochemistry v. 86, no. 1, 2001. -- p. 300-300
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
2001
Rights
Information about rights held in and over the resource
<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
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/S0162-0134(01)00276-8
Complejos
Química Inorgánica