<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/">
<rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/759">
    <dcterms:title><![CDATA[<strong>Theoretical investigation of the stacking interactions between curved conjugated systems and their interaction with fullerenes</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[INVESTIGACIONES TEORICAS]]></dcterms:subject>
    <dcterms:subject><![CDATA[FORMACION DE COMPLEJOS]]></dcterms:subject>
    <dcterms:subject><![CDATA[SISTEMAS CONJUGADOS]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2011]]></dcterms:subject>
    <dcterms:abstract><![CDATA[Herein, we perform a M06-2X/6-311G investigation of the homo and mixed dimers formed between corannulene, sumanene, and pentaindenocorannulene; also, their complexes with C60 and C70 were studied. Despite the lower area of sumanene, the interaction of the sumanene-dimer is stronger that of the corannulene- dimer because of CH&ndash;p interactions. For mixed-dimers, when the concave and convex sides perfectly match the interactions are similar to those of the homodimers. However, when the concave area is larger than the convex one, CH&ndash;p interactions become important and perfect stacking is lost. The interaction between pentaindenocorannulene-C60 is twice that of corannulene-C60, and DG298 = 10.8 kcal/ mol. Thus, pentaindenocorannulene is a better choice to catch C60]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<a title="Curr&iacute;culum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank"><strong>Denis, Pablo A.</strong></a>]]></dcterms:creator>
    <dcterms:source><![CDATA[Chemical Physics Letters&nbsp; v. 516, no. 1-3, 2011. -- p. 82-87]]></dcterms:source>
    <dcterms:publisher><![CDATA[Elsevier]]></dcterms:publisher>
    <dcterms:date><![CDATA[2011]]></dcterms:date>
    <dcterms:rights><![CDATA[<p>&nbsp;</p>
<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislaci&oacute;n uruguaya</strong> protege el derecho de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n 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 aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>
<p>&nbsp;</p>
<p>&nbsp;</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[doi:10.1016/j.cplett.2011.09.058]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/5979">
    <dcterms:title><![CDATA[<strong>Theoretical investigation of various aspects of two dimensional holey boroxine, B3O3</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[BERILIO]]></dcterms:subject>
    <dcterms:subject><![CDATA[BORO]]></dcterms:subject>
    <dcterms:subject><![CDATA[PROPIEDADES ELECTRICAS]]></dcterms:subject>
    <dcterms:subject><![CDATA[PROPIEDADES ELECTRONICAS]]></dcterms:subject>
    <dcterms:subject><![CDATA[PROPIEDADES OPTICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[INVESTIGACION TEORICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2019]]></dcterms:subject>
    <dcterms:abstract><![CDATA[By means of first-principles calculations, we study the structural, electronic and mechanical properties of the newly synthesized boron&ndash;oxygen holey framework (Chem. Comm. 2018, 54, 3971). It has a planar structure formed by B3O3 hexagons, which are joined via strong covalent boron&ndash;boron bonds. The six B3O3 units are connected with six-fold symmetry exhibiting a large hole with a surface area of 23 &Aring;2, which is ideal for the adsorption of alkalis. For neutral alkalis, we found that the adsorption energy of potassium is 14 and 12 kcal mol&minus;1 larger than those determined for sodium and lithium, respectively. In contrast, for alkali cations, there is a clear preference for lithium over sodium and potassium. With regard to its electronic properties, it is an insulator with an electronic band gap of 5.3 eV, at the HSE level of theory. We further investigate the effect of strain on the band gap and find it a less efficient technique to tune the electronic properties. The wide optical gap of B3O3 can be utilized in ultraviolet (UV) applications, such as UV photodetectors, etc. Additionally, the 2D elastic modulus of B3O3 (53.9 N m&minus;1) is larger than that of Be3N2, silicene, and germanene. Besides, we also report bilayer and graphite-like bulk B3O3 and furthermore, find that the optoelectronic properties of the bilayer can be tuned with an external electric field. The great tunability of optical properties from UV to the visible range offers a vast range of applications in optoelectronics.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<a title="Curriculum Vitae" href="https://www.google.com/url?sa=t&amp;rct=j&amp;q=&amp;esrc=s&amp;source=web&amp;cd=1&amp;cad=rja&amp;uact=8&amp;ved=2ahUKEwjAzt352r_mAhUBErkGHSG_ALIQFjAAegQIBBAG&amp;url=https%3A%2F%2Fexportcvuy.anii.org.uy%2Fcv%2F%3F5838628233fef1a83df67e2235d927c4a69fd08d7b3b2cbd45f825b3b0327f2f869df055be96ee401aec1ab3995b9905c1339dbf8b5b1059582d0221c61fa4ea&amp;usg=AOvVaw1-3bMhJ1paRert553HzPBB" target="_self"><strong>Denis, Pablo A.</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Ullah, Saif<br /></strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Sato, Fernando</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[RSC Advances v. 9, no. 64, 2019. -- p. 37526-37536]]></dcterms:source>
    <dcterms:publisher><![CDATA[Royal Society of Chemistry]]></dcterms:publisher>
    <dcterms:date><![CDATA[2019]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislaci&oacute;n uruguaya</strong> protege el derecho de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI:10.1039/C9RA07338H]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/2136">
    <dcterms:title><![CDATA[<strong>Theoretical investigation on the interaction between beryllium, magnesium and calcium with benzene, coronene, cirumcoronene and graphene</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[INVESTIGACION TEORICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[BERILIO]]></dcterms:subject>
    <dcterms:subject><![CDATA[MAGNESIO]]></dcterms:subject>
    <dcterms:subject><![CDATA[BENCENO]]></dcterms:subject>
    <dcterms:subject><![CDATA[GRAFENO]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2014]]></dcterms:subject>
    <dcterms:abstract><![CDATA[The interaction energies (IE) between benzene and beryllium, magnesium and calcium were calculated at the CCSD(T)/CBS level and including corrections for core-valence and relativistic effects. The IE are 1.8, 2.3 and 3.2 kcal/mol for Be, Mg and Ca, respectively, In contrast with our previous findings for the benzene&ndash;Li complex, we found that the non-ionic structure is more stable than the ionic configuration. Thus, charge-transfer from alkaline earths to benzene would not take place. The performance of MP2 and DFT functionals is poor. At the complete basis set limit, M06-2X, M06-L, B97D and MP2 exhibited similar MAD ( 0.7&ndash;0.8 kcal/mol). When larger aromatic models were considered, the IE were similar to those computed for benzene. Finally, taking into account the drawbacks of the DFT functionals, the computed IE for the non-ionic adsorption of Be, Mg and Ca onto graphene, are tentatively estimated as 2.1, 2.7 and 2.9 kcal/mol, respectively.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<a title="curr&iacute;culum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank"><strong>Denis, Pablo A.</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="curr&iacute;culum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=61cb9707d2f1b34e7a18f0e5255264e0" target="_blank"><strong>Iribarne, Federico</strong></a>]]></dcterms:creator>
    <dcterms:source><![CDATA[Chemical Physics v. 430, 2014. -- p. 1-6]]></dcterms:source>
    <dcterms:publisher><![CDATA[Elsevier]]></dcterms:publisher>
    <dcterms:date><![CDATA[2014]]></dcterms:date>
    <dcterms:rights><![CDATA[<p>&nbsp;</p>
<p align="LEFT"><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislaci&oacute;n uruguaya</strong> protege el derecho de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n 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 aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[http://dx.doi.org/10.1016/j.chemphys.2013.11.013]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/4048">
    <dcterms:title><![CDATA[<strong>Theoretical studies of hydrogen-bonded complexes using semiempirical methods</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[COMPLEJOS]]></dcterms:subject>
    <dcterms:subject><![CDATA[HIDROGENO]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[URUGUAY]]></dcterms:subject>
    <dcterms:subject><![CDATA[1990]]></dcterms:subject>
    <dcterms:abstract><![CDATA[Recently proposed modified MNDO methods (MNDO/M and MNDO-PM3) for the study of hydrogen-bonded complexes are tested in four simple systems: (H2O)2, NH4+ &middot; H2O, formamide water and formamide-methanol dimers. A comparison is made with AM1 since this method, intended to be a general improvement of MNDO, was already shown to fail in the former two dimers. Bifurcated hydrogen-bonded structures were always preferred over linear ones. AM1 also shows this artifact in the formamide-water dimer but not in the formamide-methanol one. This is due to the inability of -CH3 to bind to the carbonyl oxygen. In this case the AM1 optimized global minimum is in excellent agreement with the Hartree-Fock ab initio DZP optimized structure. Moreover, when it is physically impossible to form bifurcated hydrogen bonds, AM1 is in good agreement with ab initio results. MNDO/M and MNDO-PM3 (an improvement on AM1 ) do not give any bifurcated structure either in the former two dimers or in the formamide complexes. MNDO/M and MNDO-PM3 structures are in agreement with ab initio and experimental ones in almost all cases, except for the global minima in both the formamide-water and the formamide- methanol dimers. Singly hydrogen-bonded structures are predicted instead of the experimentally determined and ab initio calculated correct doubly hydrogen-bonded ones. MNDO-PM3, although not entirely correct, gives structures which are more correct than the MNDO/M ones. In conclusion, neither of these semiempirical methods is entirely correct. Overall, MNDO-PM3 seems to be more trustworthy than AM1 or MNDO/M, although these methods may be used when no bifurcated hydrogen bonds (AM1) or cycles (MNDO//M) exist. Failures of MNDO-PM3 indicate that a better semiempirical method is still needed for studies of solvation and hydrogen- bonded clusters.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Coiti&ntilde;o, E.L.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Irving, K.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Rama, J.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank"><strong>Ventura, O.N.</strong></a>]]></dcterms:creator>
    <dcterms:source><![CDATA[Journal of Molecular Structure (THEOCHEM) v. 69, 1990. p. 405-426]]></dcterms:source>
    <dcterms:publisher><![CDATA[Elsevier]]></dcterms:publisher>
    <dcterms:date><![CDATA[1992]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong> La legislaci&oacute;n uruguaya protege el derecho</strong> de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong> ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI:10.1016/0166-1280(90)80065-V]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/6841">
    <dcterms:title><![CDATA[<strong>Theoretical study of alkali metals (Li, Na, K) intercalation in the H2Ti3O7(100) surface</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[TEORIA FUNCIONAL DE LA DENSIDAD]]></dcterms:subject>
    <dcterms:subject><![CDATA[METALES ALCALINOS]]></dcterms:subject>
    <dcterms:subject><![CDATA[TERMODINAMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2024]]></dcterms:subject>
    <dcterms:abstract><![CDATA[The H2Ti3O7 system has potential to be applied as a Li/Na/K-ion battery anode material. It is relevant to theoretically study the (100) nanosheet of this material since there are no studies regarding intercalation of Li/ Na/K in it. Density Functional Theory calculations with the Hubbard methodology (DFT + U) were conducted in order to find and test several intercalation sites for the three different metals, finding stability and high voltages in all of them. Moreover, the electronic density of states confirms the stability of the systems and charge transfer studies were performed to compare the electron transfer between the most stable sites of each intercalated metal and the surface. Nudged Elastic Band (NEB) calculations were performed, finding lower barriers of 0.54 eV and 0.41 eV for Li and Na diffusion. This study shows that this material is promising and can be a guide for future works.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Juan, Juli&aacute;n</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Fern&aacute;ndez Werner, Luciana</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Jasen, Paula V.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Bechthold, Pablo</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Faccio, Ricardo</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Gonz&aacute;lez, Estela A.</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[Applied Surface Science v. 669, 2024. -- e160580]]></dcterms:source>
    <dcterms:publisher><![CDATA[Elsevier]]></dcterms:publisher>
    <dcterms:date><![CDATA[2024]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislaci&oacute;n uruguaya protege el derecho</strong>&nbsp;de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong>&nbsp;La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:extent><![CDATA[9 p.]]></dcterms:extent>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[10.1016/j.apsusc.2024.160580]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/6125">
    <dcterms:title><![CDATA[<strong>Theoretical study of Li intercalation in TiO2(B) surfaces</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[LITIO
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>]]></dcterms:subject>
    <dcterms:subject><![CDATA[DIOXIDO DE TITANIO]]></dcterms:subject>
    <dcterms:subject><![CDATA[BATERIAS
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>]]></dcterms:subject>
    <dcterms:subject><![CDATA[2020
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
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    <dcterms:abstract><![CDATA[TiO2(B) has potential as an anode material for Li-ion batteries. Although theoretical and experimental studies related to the intercalation of Lithium (Li) in TiO2(B) already exist, to the best of our knowledge there are no studies in the open literature related to Li intercalation in low-index surfaces of this oxide phase. Therefore, we study the intercalation of Li in the (100) and (001) surfaces of TiO2(B) using Density Functional Theory (DFT). The DFT+U Hubbard methodology was included to consider the strong correlation of the &ldquo;d&rdquo; electron states of the transition metal. Electronic densities of states of the surfaces were analyzed in the diluted limit concentration of Li. We found a small-induced magnetic moment present. The diffusion of Li atoms in the surfaces was studied using the Nudged Elastic Band (NEB) method. Our results indicated that the Li intercalation in the (100) and the (001) surfaces is a favorable process. Moreover, we found diffusion pathways energetically stables for both surfaces. Calculations of charge density difference with Li intercalated in the energetically stable positions on the surfaces indicate that the charge density on Li is a local phenomenon and a charge transfer occurs from Li to the nearest Ti and O atoms.
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    <dcterms:creator><![CDATA[<strong>Juan, Juli&aacute;n</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Fern&aacute;ndez-Werner, Luciana</strong><br />
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    <dcterms:creator><![CDATA[<strong>Jasen, Paula V.</strong>
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    <dcterms:creator><![CDATA[<strong>Bechthold, Pablo</strong>
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    <dcterms:creator><![CDATA[<strong>Faccio, Ricardo</strong>
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    <dcterms:creator><![CDATA[<strong>Gonz&aacute;lez, Estela A.</strong>
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    <dcterms:source><![CDATA[Applied Surface Science v. 526, 2020. --pp. 1-10.-- e 146460<br />
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    <dcterms:publisher><![CDATA[Elsevier
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    <dcterms:date><![CDATA[2020
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    <dcterms:rights><![CDATA[<strong>Informaci&oacute;n sobre Derechos de Autor</strong> (Por favor lea este aviso antes de abrir los documentos u objetos)<strong> La legislaci&oacute;n uruguaya</strong>protege el derecho de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.
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    <dcterms:format><![CDATA[Pdf
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    <dcterms:language><![CDATA[Ingl&eacute;s
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    <dcterms:type><![CDATA[Art&iacute;culo
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    <dcterms:identifier><![CDATA[https://doi.org/10.1016/j.apsusc.2020.146460
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</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/4868">
    <dcterms:title><![CDATA[<strong>Theoretical study of new potential semiconductor surfaces performance for dye sensitized solar cell usage :&nbsp; TiO2-B (001), (100) and H2Ti3O7 (100)</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[SEMICONDUCTORES]]></dcterms:subject>
    <dcterms:subject><![CDATA[CELULAS SOLARES]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2017]]></dcterms:subject>
    <dcterms:abstract><![CDATA[Hydrogen titanate (H2Ti3O7) and TiO2-B polymorph are potential surfaces identified experimentally in the last years, which need to be analyzed. To study their performance as surfaces for dye sensitized solar cells (DSSC), a set of dye adsorption configurations were evaluated on them, as model dye the small and organic catechol molecule was used. We have calculated adsorption geometry, energy, electronic transfer from dye to semiconductor adsorbent and frontier orbitals by means of density functional theory (DFT). Results show that vacancy-like defected H2Ti3O7 (100) and TiO2-B (100) surfaces present favorable adsorption energies. Finally, an adequate energy level alignment make both surfaces prone to be adequate for direct electron transfer upon excitation, from catechol to the conduction band of the semiconductors, with bands located in the Visible region of the electromagnetic spectrum. Additionally, the band structure alignment indicates an increase in the open circuit voltage, in reference to I2/I3&minus; redox pair potential. All these characteristics make hydrogen titanate (H2Ti3O7) and TiO2-B polymorph promising for DSSC applications.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Germana, Estefan&iacute;a</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=fc7cd71892b1a9968ee19230dafdbd01" target="_blank"><strong>Faccio, Ricardo</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=31ed37f6d0196c1ca18c1b4dfab6de76" target="_blank"><strong>Mombr&uacute;, &Aacute;lvaro W.</strong></a>]]></dcterms:creator>
    <dcterms:source><![CDATA[Applied Surface Science v. 426, 2017. -- p. 1182-1189]]></dcterms:source>
    <dcterms:publisher><![CDATA[Elsevier]]></dcterms:publisher>
    <dcterms:date><![CDATA[2017]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislaci&oacute;n uruguaya protege el derecho</strong> de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE <strong>OCTUBRE DE 2006)</strong></p>
<p><strong>ADVERTEN La coCIA</strong> -nsulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI: 10.1016/j.apsusc.2017.08.012]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/4453">
    <dcterms:title><![CDATA[<strong>Theoretical study of reaction mechanisms for the ketonization of vinyl alcohol in gas phase and aqueous solution</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[CATALISIS]]></dcterms:subject>
    <dcterms:subject><![CDATA[URUGUAY]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[1987]]></dcterms:subject>
    <dcterms:abstract><![CDATA[Theoretical ab initio calculations are done on different mechanisms for the conversion of vinyl alcohol to acetaldehyde, both in gas phase and in solution. Several basis sets are used in order to assess the accuracy of the results in gas phase and a continuum model of the solvent is employed to mimic reactions in water solution. The results indicate a catalytic action of water in hydrated clusters in gas phase, whereas in solution, and within the error limits of our calculations, both neutral water-chain and ionic mechanisms appear to be equally probable. Finally, the action of acids or bases is tested through the analysis of the reaction of vinyl alcohol with H3O+ and HO&minus;. The results of the calculations are shown to be in qualitative agreement with the experimental facts when 6-31++G basis set is used but not when either STO-3G or 4-31G basis sets are employed.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank"><strong>Ventura, Oscar N.</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Lledos, A.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Bonaccorsi, R.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Bertr&aacute;n, Juan</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Tomasi, Jacopo</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[Theoretica Chimica Acta v. 72, no.3, 1987. -- p. 175-195]]></dcterms:source>
    <dcterms:publisher><![CDATA[Springer]]></dcterms:publisher>
    <dcterms:date><![CDATA[1987]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong> La legislaci&oacute;n uruguaya protege el derecho</strong> de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong> ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI: 10.1007/BF00527661]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/2300">
    <dcterms:title><![CDATA[<strong>Theoretical study of sequence selectivity and preferred binding mode of psoralen with DNA</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[QUIMICA ORGANICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[PSORALENOS]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2007]]></dcterms:subject>
    <dcterms:abstract><![CDATA[Psoralen interaction with two models of DNA was investigated using molecular mechanics and molecular dynamics methods. Calculated energies of minor groove binding and intercalation were compared in order to define a preferred binding mode for the ligand.We found that both binding modes are possible, explaining the low efficiency for monoadduct formation from intercalated ligands. A comparison between the interaction energy for intercalation between different base pairs suggests that the observed sequence selectivity is due to favorable intercalation in 5-TpA in (AT)n sequences.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>S&aacute;enz, Patricia</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Guedes, R.C</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>dos Santos, D.J.V.A</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Eriksson, L.A.</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[Research Letters in Physical Chemistry no. 60623, 2007. --]]></dcterms:source>
    <dcterms:publisher><![CDATA[Hindawi Publishing Corporation]]></dcterms:publisher>
    <dcterms:date><![CDATA[2007]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong> La legislaci&oacute;n uruguaya protege el derecho</strong> de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong> ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI:10.1155/2007/60623]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/5817">
    <dcterms:title><![CDATA[<strong>Theoretical study of the microhydration of 1-chloro and 2-chloro ethanol as a clue for their relative propensity toward dehalogenation</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[TERMODINAMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[COMPUESTOS ORGANOCLORADOS]]></dcterms:subject>
    <dcterms:subject><![CDATA[CLOROETANOL]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA 6530 |a 2019]]></dcterms:subject>
    <dcterms:subject><![CDATA[2019]]></dcterms:subject>
    <dcterms:abstract><![CDATA[This work reports a computational analysis of hydrogen‐bonded clusters of mono‐, di‐, tri‐, and tetrahydrates of the chlorohydrins CH3CHClOH (1ClEtOH) and CH2ClCH2OH (2ClEtOH). The goal of the study is to assess the role of the water solvent into the facilitation of the initial step for dehalogenation of these compounds, a process of interest in several contexts. Molecular orbital methods (MP2), density functional methods (B3LYP, M06, and &omega;B97X‐D), and composite model chemistries (CBS‐QB3, G4) were employed to investigate the structure, electronic distribution, and hydrogen‐bonded structure of seven monohydrates, six dihydrates, five trihydrates, and five tetrahydrates of both species. Standard reaction enthalpy and standard Gibbs free reaction energy (urn:x-wiley:00207608:media:qua25931:qua25931-math-0001) were computed for all aggregates with respect to n independent water molecules and with respect to the dimer, trimer, and tetramer of water, respectively, in order to evaluate stability and hydrogen bonding network. The influence of the water chains on the length and vibrational frequencies, especially of the CCl and OH bonds, was evaluated. Hydrogen bonding in the complexes is discussed at length.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Petsis, George</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Salta, Zoi</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Kosmas, Agnie Mylona</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curriculum Vitae" href="https://www.google.com/url?sa=t&amp;rct=j&amp;q=&amp;esrc=s&amp;source=web&amp;cd=1&amp;ved=2ahUKEwjO5a_q6r_mAhX1IbkGHWsNAxYQFjAAegQIBBAH&amp;url=https%3A%2F%2Fexportcvuy.anii.org.uy%2FCvEstatico%2F%3FurlId%3Da7868d1a46654e7a04ba7167141502086fa0cfad8b13463f75d90af715685994bc8f3eafaad6f6d2f6647277c9782143df93695c8a7d8e14295323ca2e2847d3%26formato%3Dpdf%26convocatoria%3D21&amp;usg=AOvVaw3DgPJlf--GOsjsu4KZ-hpA" target="_self"><strong>Ventura, Oscar N.</strong></a>]]></dcterms:creator>
    <dcterms:source><![CDATA[International Journal of Quantum Chemistry v. 119, no. 17, 2019. -- 15p.--e25931]]></dcterms:source>
    <dcterms:publisher><![CDATA[Wiley]]></dcterms:publisher>
    <dcterms:date><![CDATA[2019]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislaci&oacute;n uruguaya protege el derecho</strong> de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI: 10.1002/qua.25931]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/5655">
    <dcterms:title><![CDATA[<strong>Theoretical study of the reactions of the hydroselenyl radical (HSe●) with the selenenic radical (HSeO●)</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[SELENIO]]></dcterms:subject>
    <dcterms:subject><![CDATA[AZUFRE]]></dcterms:subject>
    <dcterms:subject><![CDATA[RADICALES]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2018]]></dcterms:subject>
    <dcterms:abstract><![CDATA[The formation of selenium species in some biological processes involves the generation of ionic and radical intermediates such as RSe●, RSe&minus;, RSeO●, and RSeO&minus;, among others. We performed a theoretical study of the possible mechanisms for the reaction of the two simplest Se radicals&mdash;the hydroselenyl (HSe●) and selenenic (HSeO●) radicals, in which the possible products, intermediates, and transition-state structures were investigated. Density functional theory (DFT) was applied at the B3LYP/6&ndash;311++G(3df,3pd) level and the Ahlrichs Coulomb fitting basis sets were employed with an effective core potential (ECP) for both Se atoms. The same procedure was used to calculate the electronic density. All calculations were also performed using the M06-2X functional, which describes weaker bonds better than B3LYP does. In the reaction of interest, the so-called CR complex (HSe&middot;&middot;&middot;&middot;SeOH) is formed initially. After passing through the transition state TS1, cis-HSeSeOH is obtained as a product. If a low barrier is then overcome (passing through the transition state TS32), the trans-HSeSeOH species is obtained. The CR complex can also rearrange into the intermediate INT after overcoming the barrier presented by the transition state TS2. Additionally, the decomposition of INT to H2O and 1Se2 is possible through another transition state. This reaction is not included in this study. We also observed a second possible route for the conversion of INT to one of the HSeSeOH species; this route occurs through two pathways (with transition states TS31 and TS32). A comparison of some of the results with those obtained for sulfur analogs along the same pathways is also presented in this work.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Vega Teijido, Mauricio Angel</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Kieninger, Martina</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curriculum Vitae" href="https://www.google.com/url?sa=t&amp;rct=j&amp;q=&amp;esrc=s&amp;source=web&amp;cd=1&amp;ved=2ahUKEwjO5a_q6r_mAhX1IbkGHWsNAxYQFjAAegQIBBAH&amp;url=https%3A%2F%2Fexportcvuy.anii.org.uy%2FCvEstatico%2F%3FurlId%3Da7868d1a46654e7a04ba7167141502086fa0cfad8b13463f75d90af715685994bc8f3eafaad6f6d2f6647277c9782143df93695c8a7d8e14295323ca2e2847d3%26formato%3Dpdf%26convocatoria%3D21&amp;usg=AOvVaw3DgPJlf--GOsjsu4KZ-hpA" target="_self"><strong>Ventura, Oscar N.</strong></a>]]></dcterms:creator>
    <dcterms:source><![CDATA[Journal of Molecular Modeling v. 24, no. 1, 2018. --p. 1-8 .--e3]]></dcterms:source>
    <dcterms:publisher><![CDATA[Springer]]></dcterms:publisher>
    <dcterms:date><![CDATA[2018]]></dcterms:date>
    <dcterms:rights><![CDATA[Informaci&oacute;n sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislaci&oacute;n uruguaya protege el derecho de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI: 10.1007/s00894-017-3535-1]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/1480">
    <dcterms:title><![CDATA[<strong>Theoretical study of the structure of neutral, radical and anionic monoperoxo carbonic acid</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[BIOCARBONATOS]]></dcterms:subject>
    <dcterms:subject><![CDATA[EPOXIDACI&Oacute;N]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QU&Iacute;MICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2009]]></dcterms:subject>
    <dcterms:abstract><![CDATA[Bicarbonate ion reacts with aqueous hydrogen peroxide, yielding monoperoxocarbonate (HCO4 , PCA). This species is a better oxidizing agent than hydrogen peroxide itself and has been shown to lead to double bond epoxidation of alkenes under mild conditions. The structure of this anion as well as that of the parent monoperoxocarbonic acid (H2CO4, HPCA) are not known experimentally. The structures of the neutral, anionic and radical species derived from H2CO4 are reported in this paper employing DFT and MP2 methods, both in gas phase and simulating the bulk water solvent using the PCM method. Several conformers are found, of which the most stable one in gas phase has a planar, hydrogen-bonded structure similar to the one observed for peroxyformic acid (PFA). However, optimization of this structure in the bulk solvent leads to a non-planar conformation with a gauche disposition of the bonds in the COOH group. It is furthermore shown that the barriers separating the conformers are much smaller in solution, thus allowing easy interconversion]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Patricia S&aacute;enz.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Eriksson, Leif A.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curr&iacute;culum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank"><strong>Ventura, Oscar N.</strong></a>]]></dcterms:creator>
    <dcterms:source><![CDATA[Journal of Molecular Structure : Teochem v. 913, no. 1-3, 2009. -- p.131-138]]></dcterms:source>
    <dcterms:publisher><![CDATA[Elsevier]]></dcterms:publisher>
    <dcterms:date><![CDATA[2009]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong> La legislaci&oacute;n uruguaya protege el derecho</strong> de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingles]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI: 10.1016/j.theochem.2009.07.029]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/3210">
    <dcterms:title><![CDATA[<strong>Theorical study of the addition of hydrogen halides to olefins :&nbsp;a comparison between (HCl)2 and (HF)2 additions to ethylene&nbsp;</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[ETILENO]]></dcterms:subject>
    <dcterms:subject><![CDATA[OLEFINAS]]></dcterms:subject>
    <dcterms:subject><![CDATA[HALURO DE HIDROGENO]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAF&Iacute;A NACIONAL QU&Iacute;MICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[1987]]></dcterms:subject>
    <dcterms:subject><![CDATA[URUGUAY]]></dcterms:subject>
    <dcterms:abstract><![CDATA[This paper presents a theoretical study of the addition of (HF)2 to ethylene using ab initio methods with the 3-21G basis set. Thermodynamical calculations to obtain &Delta;G&deg;298 values were also made. Comparison with the bimolecular addition of HF to ethylene shows a larger stabilization of the transition state obtained, reflected in a decrease of the potential barrier. This fact, along with an analysis of the energy components and the mechanism, allows us to assert the catalytic activity of the second HF molecule. From the thermodynamics of the reaction, the need for a "bimolecular" collision between (HF)2 and ethylene and not a termolecular one is deduced, and the ability of this mechanism to explain data in the gas phase and in nonpolar solvents is sustained.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Clavero, C.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Dur&aacute;n, M.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Lledos, A.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank"><strong>Ventura, Oscar N.</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Bertran, J.</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[Journal of Computational Chemistry&nbsp; v. 8, no.4, 1987. -- p. 481-488]]></dcterms:source>
    <dcterms:publisher><![CDATA[Wiley]]></dcterms:publisher>
    <dcterms:date><![CDATA[1987]]></dcterms:date>
    <dcterms:rights><![CDATA[<h3>Derechos</h3>
<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislaci&oacute;n uruguaya protege el derecho de autor</strong> sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:format><![CDATA[Papel]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI: 10.1002/jcc.540080428]]></dcterms:identifier>
    <dcterms:coverage><![CDATA[Uruguay]]></dcterms:coverage>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/4165">
    <dcterms:title><![CDATA[<strong>Theorical study of the addition of hydrogen halides to olefins :reaction of dimeric HF with ethylene</strong>]]></dcterms:title>
    <dcterms:abstract><![CDATA[This paper presents a theorical sutdy of the addition of (HF)2 to ethylene using ab initio methods with the 3-21G basis set. Thermodynamical calculations to obtain DeltaGo(298) values were also made. Comparison with the bimolecular addition of HF to ethylene shows a larger stabilization of the transition state obtained&nbsp; reflected in a decrease of the potential barrier. This fact&nbsp; along with an analysis of the energy components and the mechanism |b allows us to assert the catalytic activity of the second HF molecule. From the thermodynamics of the reaction |b the need for a "biomolecular" collision between (HF)2 and ethylene and not a termolecular one is deduced |b and the ability of this mechanism to explain data in the gas phase and in nonpolar solvents is sustained.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Clavero, C.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Dur&aacute;n, M.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Lledos, A.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank"><strong>Ventura, Oscar N.</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Bertran, J.</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[Journal of the American Chemical Society v. 108, no. 5, 1986. -- p. 923-928]]></dcterms:source>
    <dcterms:publisher><![CDATA[American Chemical Society]]></dcterms:publisher>
    <dcterms:date><![CDATA[1986]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong> La legislaci&oacute;n uruguaya protege el derecho</strong> de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI: 10.1021/ja00265a014]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/6724">
    <dcterms:title><![CDATA[<strong>Therapeutic advantages of the combined use of closantel and moxidectin in lambs parasitized with resistant gastrointestinal nematodes</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[LACTONAS MACROCICLICAS]]></dcterms:subject>
    <dcterms:subject><![CDATA[FARMACOCINETICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[OVEJAS]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2023]]></dcterms:subject>
    <dcterms:abstract><![CDATA[The serious widespread development of nematode resistance has motivated the use of combined anthelmintic formulations. However, the advantages/disadvantages of the combined use of anthelmintics require further scientific characterization. The goals of the current trial were a) to characterize the pharmacokinetics of closantel (CLO) and moxidectin (MXD) administered both subcutaneously (sc) and orally either separately or co administered (CLO + MXD) to lambs; b) to compare the nematodicidal activity of both molecules given indi vidually or co-administered to lambs infected with resistant nematodes. Seventy (70) Corriedale lambs naturally infected with multiple resistant gastrointestinal nematodes were involved in the pharmacokinetic and efficacy trials. The animals were allocated into six groups (n = 10) and treated with either CLO, MXD, or with the CLO + MXD combined formulation by both the oral and sc routes. Additionally, an untreated control group (n = 10) was included for the efficacy trial. The efficacy was estimated by the faecal egg count reduction test (FECRT). Higher systemic exposure of both CLO and MXD was observed after the sc compared to the oral administration in lambs. The combined administration of CLO + MXD did not markedly alter their disposition kinetics. At 13 days post treatment, the administration of both molecules as a single active principle reached efficacy levels ranging be tween 80% (MXDoral), 84% (CLOoral), 85% (CLOsc), and 92% (MXDsc). The combined oral and sc treatments reached 99% efficacy. No adverse effects were observed after the combined treatment of CLO + MXD, and their co-administration did not show any adverse pharmacokinetic interaction. The combined effect of CLO + MXD successfully restored the maximum efficacy levels, which were not reached by the individual active ingredients.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Su&aacute;rez, Gonzalo</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Castells, Daniel</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Imperiale, Fernanda</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a href="https://export.cvuy.uy/cv/?becdd2a1b27e38e24d175f5aea76d2e093a671ea8ce10a4f95e05f47f8fdb0b7b91df170759bd2c0a4e2387dd884389d1a8744c2e598ab978f4159af41bd1d6e" target="_blank"><strong>Fagiolino, Pietro</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Canton, Candela</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Lanusse, Carlos</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Alvarez, Luis</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[International Journal for Parasitology: Drugs and Drug Resistance, v.23, 2023. -- pp. 28-36]]></dcterms:source>
    <dcterms:publisher><![CDATA[Elsevier]]></dcterms:publisher>
    <dcterms:date><![CDATA[2023]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislaci&oacute;n uruguaya protege el derecho</strong>&nbsp;de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong>&nbsp;La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:extent><![CDATA[9 p.]]></dcterms:extent>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[10.1016/j.ijpddr.2023.07.004]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/1976">
    <dcterms:title><![CDATA[<strong>Therapeutic carbamazepine (CBZ) and valproic acid (VPA) monitoring in children using saliva as a biologic fluid</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[CARBAMAZEPINA]]></dcterms:subject>
    <dcterms:subject><![CDATA[ACIDO VALPROICO]]></dcterms:subject>
    <dcterms:subject><![CDATA[NI&Ntilde;OS]]></dcterms:subject>
    <dcterms:subject><![CDATA[FLUIDOS BIOLOGICOS]]></dcterms:subject>
    <dcterms:subject><![CDATA[2008]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAF&Iacute;A NACIONAL QU&Iacute;MICA]]></dcterms:subject>
    <dcterms:abstract><![CDATA[OBJECTIVE: The aim of the study was to analyze retrospectively carbamazepine (CBZ) and valproic acid (VPA) salivary data collected from epileptic children during a 3-year period. METHODS: Saliva samples stimulated by citric acid were assayed by FPIA method. One hundred and three patients (aged 1-14 years) were in CBZ or VPA monotherapy or in CBZ-VPA combined therapy. RESULTS: VPA salivary levels were linearly related with daily dose, but a non-linear relationship was found for CBZ, in patients under monotherapy. VPA did not alter saliva CBZ concentration. Conversely, CBZ reduced VPA salivary levels. Non-responsive children displayed higher VPA concentrations. CBZ levels in uncontrolled patients showed non-significant difference in relation with controlled subjects even though their daily doses were higher. CONCLUSION: Citric acid stimulated saliva is reliable enough to perform therapeutic drug monitoring. Saliva drug levels in non-responsive patients would be explained according to the generalized efflux transporter overexpression hypothesis.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Maldonado, C.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="curr&iacute;culum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=caabbc98478c9c9fb71e4b0eb4e4ccd5" target="_blank"><strong>Fagiolino, Pietro</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>V&aacute;zquez, Marta</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="curr&iacute;culum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=9b0f413dec677697679ef0eb972502e2" target="_blank"><strong>Rey, Ana</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Olano, I.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Eiraldi, Rosa</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Scavone, C.</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[Journal of Epilepsy and Clinical Neurophysiology v. 14, no. 2, 2008. -- p. 55-58]]></dcterms:source>
    <dcterms:publisher><![CDATA[Liga Brasileira de Epilepsia (LBE)]]></dcterms:publisher>
    <dcterms:date><![CDATA[2008]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong><br /> <br /> (Por favor lea este aviso antes de abrir los documentos u objetos)<br /> <br /> <strong>La legislaci&oacute;n uruguaya</strong> protege el derecho de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes<br /> <br /> (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)<br /> <br /> <strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[http://dx.doi.org/10.1590/S1676-26492008000200003]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/1947">
    <dcterms:title><![CDATA[<strong>Therapeutic drug monitoring of anticonvulsants in saliva</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[SALIVA]]></dcterms:subject>
    <dcterms:subject><![CDATA[MONITOREO DE DROGAS]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2007]]></dcterms:subject>
    <dcterms:creator><![CDATA[<a title="Curr&iacute;culum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=caabbc98478c9c9fb71e4b0eb4e4ccd5" target="_blank"><strong>Pietro Fagiolino</strong></a>]]></dcterms:creator>
    <dcterms:source><![CDATA[Therapeutic Drug Monitoring and Clinical Toxicology Newsletter v. 6, 2007. -- p. 8-10]]></dcterms:source>
    <dcterms:date><![CDATA[2007]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong> La legislaci&oacute;n uruguaya</strong> protege el derecho de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingles]]></dcterms:language>
    <dcterms:type><![CDATA[Artículo]]></dcterms:type>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/2123">
    <dcterms:title><![CDATA[<strong>Thermal analysis of the combustion of charcoals from Eucalyptus dunii obtained at different pyrolysis temperatures.</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[EUCALIPTUS DUNII]]></dcterms:subject>
    <dcterms:subject><![CDATA[PIROLISIS]]></dcterms:subject>
    <dcterms:subject><![CDATA[TERMOQUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2010]]></dcterms:subject>
    <dcterms:abstract><![CDATA[DSC and TG/DTA were used to study charcoals obtained from eucalyptus wood at different pyrolysis temperatures, as well as the exchanged energy, and the transformations involved during the pyrolysis process. Charcoals DSC curves showed two exothermic peaks, at *610 and *750 K. The first peak was squashed for those charcoals obtained at higher final pyrolysis temperatures, and it disappeared in the charcoals obtained at 873 and 923 K. The second peak intensity increased and its location changed at the higher temperatures. Charcoal characterization showed a rise of heat values with the pyrolysis temperature.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Cu&ntilde;a Su&aacute;rez, Andr&eacute;s</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=a45884281519ca862cfb00e3c7485f16"><strong>Tancredi, Nestor</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Pinheiro, Paula Cesar C.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Yoshida, Mar&iacute;a Irene</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[Journal of Thermal Analysis and Calorimetry v. 100, no. 3, 2010. -- p. 1051-1054]]></dcterms:source>
    <dcterms:publisher><![CDATA[Springer]]></dcterms:publisher>
    <dcterms:date><![CDATA[2010]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislaci&oacute;n uruguaya</strong> protege el derecho de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n 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 aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>
<p>&nbsp;</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI 10.1007/s10973-010-0746-4]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/4902">
    <dcterms:title><![CDATA[<strong>Thermal studies of wood impregnated with ZnCl2</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[MADERA]]></dcterms:subject>
    <dcterms:subject><![CDATA[CELLULOSA]]></dcterms:subject>
    <dcterms:subject><![CDATA[CARBON ACTIVADO]]></dcterms:subject>
    <dcterms:subject><![CDATA[CAMBIOS TERMICOS]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2017]]></dcterms:subject>
    <dcterms:abstract><![CDATA[In this work the thermal behavior of wood impregnated with ZnCl2 is studied. Impregnation of wood with ZnCl2 is a treatment used in activated carbon production, and liquefaction and fast pyrolysis of biomass. Frequently, the impregnated wood is dried for several hours at temperatures above 370 K and then it is carbonized. Catalytic pyrolysis occurs, giving rise to a complex set of reactions. A TG/DTA study was done on the raw material, the activated carbon, the pure ZnCl2 and the intermediate products in order to study the mass and thermal changes occurring. Elemental analysis and SEM analysis were also carried out. An exothermic torrefaction develops during the drying step; the torrefied product is carbonized in an endothermic process that involves ZnCl2 volatilization. The washed impregnated wood carbonizes through an exothermic process that may involve the decomposition of cellulose, lignin and the solid product of hemicellulose torrefaction.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<a title="Curiculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=a45884281519ca862cfb00e3c7485f16" target="_blank"><strong>Tancredi, Nestor</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Gab&uacute;s, Mauricio</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Yoshida, Mar&iacute;a I.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Cu&ntilde;a Su&aacute;rez, Andr&eacute;s</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[European Journal of Wood and Wood Products v. 75, no. 4, 2017. -- p. 633-638]]></dcterms:source>
    <dcterms:publisher><![CDATA[Springer]]></dcterms:publisher>
    <dcterms:date><![CDATA[2017]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong> La legislaci&oacute;n uruguaya protege el derecho</strong> de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong> ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI: 10.1007/s00107-016-1113-3]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/6153">
    <dcterms:title><![CDATA[<strong>Thermic and techno-functional properties of Arthrospira platensis protein fractions obtained by membrane separation process</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[ANTIOXIDANTES
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
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    <dcterms:subject><![CDATA[MICROALGAS
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    <dcterms:subject><![CDATA[PROTEINAS
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    <dcterms:subject><![CDATA[PROPIEDADES EMULSIONANTES
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    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA
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    <dcterms:subject><![CDATA[2020
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    <dcterms:abstract><![CDATA[The high protein content of Arthrospira platensis makes this cyanobacterium a great component of food. Thus, the protein obtained should guarantee the nutrient characteristic, in this case, as bioactivity and techno-functional properties. Membrane separation processes (MSPs) have been highlighted by their capacity to separate proteins and keep their properties. Therefore, MSP was used to concentrate and separate the proteins fromA. platensis, which were characterized by their physicochemical and techno-functional properties. Different ultrafiltration (UF) membranes and operational conditions (10- and 50-kDa pore size, conventional and tangential flow, hollow fiber type and pressures of 1.0, 1.5, and 2.0 bar) were tested and associated with diafiltration (DF). The maximized condition of UF/DF (hollow fiber, 50 kDa, tangential flow at 1.5 bar, associated with one DF) was up scaled (pilot scale) and allowed concentrate and permeate fractions with 81.75% and 61.20% of protein, respectively, to be obtained. A protein concentrate with 142 mg L&minus;1 of phycocyanin, 90% of antioxidant activity, with proteins more soluble at high pH (50% soluble protein at pH 7.0) and molecular weight among 5&ndash;15 and 100 kDa, was obtained. Protein thermal and emulsifying properties were maintained by the MSP, and the concentrate fraction presented results similar as A. platensis biomass, which confirms the advantage of this method in guaranteeing the protein quality.
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    <dcterms:creator><![CDATA[<strong>Menegotto, Anne Luize L.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Fernandes, Ilizandra Aparecida</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Colla, Luciane Maria</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Duarte, Jocelei</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Andrade, M&aacute;ra Zeni</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curr&iacute;culum" href="https://exportcvuy.anii.org.uy/CvEstatico/?urlId=4664be216de4df48c3322a9c7cadd7e0200d72a93dc76ee11ab21cf2d7223d3c4efefc3b59c0fd0162143b8ec72c22877b500a2ecad21ecbf2d023bb8322a3c8&amp;formato=pdf&amp;convocatoria=21" target="_blank"><strong>Abirached, Cecilia</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Franceschi, Elton</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Steffens, Juliana</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Valduga, Eunice</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[Journal of Applied Phycology v. 32, no. 6, 2020. -- p. 3885-3900
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    <dcterms:publisher><![CDATA[Springer
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    <dcterms:date><![CDATA[2020
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    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong> (Por favor lea este aviso antes de abrir los documentos u objetos)<strong> La legislaci&oacute;n uruguaya protege el derecho de autor </strong>sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>
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    <dcterms:format><![CDATA[Pdf
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    <dcterms:language><![CDATA[Ingl&eacute;s
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    <dcterms:type><![CDATA[Art&iacute;culo
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    <dcterms:identifier><![CDATA[https://doi.org/10.1007/s10811-020-02219-9
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
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<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/1919">
    <dcterms:title><![CDATA[<strong>Thermochemistry of 35 selected sulfur compounds, a comparison between experimented and theory</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[SULFUROS INORGANICOS]]></dcterms:subject>
    <dcterms:subject><![CDATA[TERMOQUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[QUIMICA TEORICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[QUIMICA DE COMBUSTION]]></dcterms:subject>
    <dcterms:subject><![CDATA[CALCULOS DE REFERENCIA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2008]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAF&Iacute;A NACIONAL QU&Iacute;MICA]]></dcterms:subject>
    <dcterms:abstract><![CDATA[The thermochemistry of 35 diatomic, triatomic and tetratomic, sulphur-containing molecules was investigated. For each molecule, we have estimated its enthalpy of formation at the CCSD(T)/CBS level, including corrections for, scalar relativistic, core-valence and spin-orbit effects. When experimental data was available we also included a correction for anharmonicities in Zero point energies. The molecules investigated are involved in several areas, atmospherical chemistry, astrochemsitry, nanotechnology, and biology. The present results demonstrate that from the previous landmark review of Benson, published in 1978, we had advanced only a little and much work must be done to have sulfur thermochemistry well established. It was very difficult to obtain a meaningful mean absolute deviation (MAD) because of the reduced number of accurate enthalpies of formation available. For a selected set of eight molecules the MAD=0.4 kcal/mol. For the 27 remaining molecules we discussed the available experimental and theoretical data and suggested new values. The consistency of our propositions has been double checked employing homodesmic and isodesmic reactions. In all cases, except one that involved S2, the results were perfectly consistent. We expect that the present work motivates new theoretical and experimental investigations of these fascinating species that contain sulfur.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<a title="Curr&iacute;culum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank"><strong>Denis, Pablo A.</strong></a>]]></dcterms:creator>
    <dcterms:source><![CDATA[Journal of Sulfur Chemistry v. 29, no. 3-4, 2008. -- p. 327-352]]></dcterms:source>
    <dcterms:publisher><![CDATA[Taylor, Francis Online]]></dcterms:publisher>
    <dcterms:date><![CDATA[2008]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong><br /> <br /> (Por favor lea este aviso antes de abrir los documentos u objetos)<br /> <br /> <strong>La legislaci&oacute;n uruguaya</strong> protege el derecho de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes<br /> <br /> (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)<br /> <br /> <strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI: 10.1080/17415990802047352]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/1840">
    <dcterms:title><![CDATA[<strong>Thermochemistry of the Hypobromous and Hypochlorous acids : HOBr and HOCL</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[TERMOQUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2006]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAF&Iacute;A NACIONAL QU&Iacute;MICA]]></dcterms:subject>
    <dcterms:creator><![CDATA[<a title="Curr&iacute;culum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank"><strong>Denis, Pablo A.</strong></a>]]></dcterms:creator>
    <dcterms:source><![CDATA[Journal of Physical Chemistry A v. 110, no. 17, 2006. -- p. 5887-5892]]></dcterms:source>
    <dcterms:publisher><![CDATA[ACSPublications]]></dcterms:publisher>
    <dcterms:date><![CDATA[2006]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong><br /> <br /> (Por favor lea este aviso antes de abrir los documentos u objetos)<br /> <br /> <strong>La legislaci&oacute;n uruguaya</strong> protege el derecho de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes<br /> <br /> (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)<br /> <br /> <strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI: 10.1021/jp056950u]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/3698">
    <dcterms:title><![CDATA[<strong>Thermodynamic activation parameters for the LDH-A4 reaction from white muscle of stenothermal and eurythermal fishes from family Sciaenidae (Perciformes).</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[TERMODINAMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[PECES]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[1993]]></dcterms:subject>
    <dcterms:abstract><![CDATA[1. 1. The effect of temperature on the maximal velocity of the reaction, manifested by the Arrhenius activation energy (Ea) was determined for the LDH-A4 obtained from white muscle of four sciaenid species: Sciaenops ocellatus (eurythermal), Cynoscion striatus and Micropogonias furnieri (stenothermal) and Cheilotrema saturnum (&ldquo;steno-eurythermal&rdquo;). 2. 2. Ea values for LDH-A4 of the eurythermal and the steno-eurythermal sciaenids were less than the two stenothermal species. 3. 3. Maximal velocities of the LDH-A4 reactions at five different temperatures were relatively constant for S. ocellatus and C. saturnum compared to the ones obtained for the two stenothermal sciaenids. Relationships of these values to the kM values of LDH-A4 for these species were inferred. 4. 4. Low &Delta;G values were obtained for the two eurythermal species, these values were much higher for the two stenothermal sciaenids.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Coppes, Zulema</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Larsson, P</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[Comparative Biochemistry and Physiology - Part B v. 106, no. 1, 1993. -- p. 219-222]]></dcterms:source>
    <dcterms:publisher><![CDATA[Elsevier]]></dcterms:publisher>
    <dcterms:date><![CDATA[1993]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislaci&oacute;n uruguaya</strong> protege el derecho de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n 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 aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[doi:10.1016/0305-0491(93)90029-5]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/6388">
    <dcterms:title><![CDATA[<strong>Thermodynamic functions and vibrational properties of Li intercalation in TiO2(B)</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[TERMODINAMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[LITIO]]></dcterms:subject>
    <dcterms:subject><![CDATA[DFT]]></dcterms:subject>
    <dcterms:subject><![CDATA[TEORIA FUNCIONAL DE DENSIDAD]]></dcterms:subject>
    <dcterms:subject><![CDATA[ESPECTROSCOPIA RAMAN]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2021]]></dcterms:subject>
    <dcterms:abstract><![CDATA[<p>In this work, Li doped TiO2(B) was modelled throughout the implementation of density functional theory with Hubbard methodology (DFT + U) in order to understand its vibrational and thermodynamics properties. Firstly, we performed structural, electronic structure and charge density difference studies in order to find accurately modelled systems. The electronic structure analysis shows that the lithiated systems have a metallic character and a n-type behavior, also the asymmetric DOS reveals that a small induced magnetic moment is present. The charge density difference analysis confirmed that the charge transfer is from the Li to the oxide. The vibrational properties studies present the undiscovered irreducible representation of the Li-TiO2(B) systems and its phononic densities. Moreover, the Raman spectroscopy studies of the bulk show great correspondence with experimental<br />literature and the novel spectra obtained of the doped systems show a dispersion and displacement of the peaks.<br />Additionally, the thermodynamic properties studies show evidence that both doped systems show promising features. Therefore, the results obtained here are innovative and can be used as reference connected with future experimental studies of this material, which has potential to be employed as a Li-ion battery anode.</p>]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<a href="https://exportcvuy.anii.org.uy/cvsni/?urlId=b8782fa264f6ad7a2b5c9487837c50f6ce7633338af9f1d881092a894a0b065f27c921e6eabbdf9d1b5e8acf846fc4d29c4d0f62c7448c1b5fc5593836aa0594&amp;convocatoria=21&amp;formato=html" target="_blank"><strong>Fern&aacute;ndez Werner, Luciana</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Bechthold, P.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Jim&eacute;nez, M. J.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Jasen, P. V.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a href="https://exportcvuy.anii.org.uy/cv/?2f2e59581473324400ee29ded741b9090cc25a893e73d02669ebfbc674c9e8b9b51bb30e2bca064dc7ebbd5c39aa3c844e86e507301e912aa1b0a5ae17423fa2" target="_blank"><strong>Faccio, Ricardo</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Gonzalez, E. A.</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[Applied Surface Science,&nbsp;v. 566, 2021. -- e150679]]></dcterms:source>
    <dcterms:publisher><![CDATA[Elsevier]]></dcterms:publisher>
    <dcterms:date><![CDATA[2021]]></dcterms:date>
    <dcterms:rights><![CDATA[<p dir="ltr"><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p dir="ltr"><span>(Por favor lea este aviso antes de abrir los documentos u objetos)</span></p>
<p dir="ltr"><strong>La legislaci&oacute;n uruguaya protege el derechode autor</strong><span>&nbsp;sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</span></p>
<span id="docs-internal-guid-9d2103f7-7fff-c813-00c7-2528fd4891ff"><strong>ADVERTENCIA:</strong><span>&nbsp;La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</span></span>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[<span id="docs-internal-guid-e9a35697-7fff-462f-5ce2-b709d297daa1"><span>10.1016/j.apsusc.2021.150679&nbsp; </span></span>]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/1284">
    <dcterms:title><![CDATA[<strong>Thermodynamic stability and crystal structure of lanthanide complexes with di-2-pyridyl ketone</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[LANTANIDOS]]></dcterms:subject>
    <dcterms:subject><![CDATA[TERMODINAMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[ESTRUCTURA CRISTALINA]]></dcterms:subject>
    <dcterms:subject><![CDATA[COMPLEJOS]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2009]]></dcterms:subject>
    <dcterms:abstract><![CDATA[The di-2-pyridylketone ligand (dpk) exhibits several coordination modes and is a good candidate for preparation of a variety of metal complexes. In this work we present a potentiometric study (in water and in ethanol : water mixtures) of Ln-dpk and Cu(II)-dpk complexes. The thermodynamic stability of the species with La, Sm and Yb is compared to that of Cu(II). In addition, [Ln(NCS)3{(py)2C(OEt)(OH)}3] (Ln&frac14;Pr, Sm, Gd) and [Cu(SCN)2{(py)2C(OEt)(OH)}]2  2EtOH have been prepared and characterized by X-ray diffraction.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Dom&iacute;nguez, S.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Gonz&aacute;lez-Platas, J.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Hummert, M.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curr&iacute;culum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=6f16399c452f7b13f8a01a148cb38e12" target="_blank"><strong>Kremer, C.</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Schumann, H.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curr&iacute;culum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=b1b8a8c8b1a5835b874ac1994003c38d" target="_blank"><strong>Torres, J.</strong></a>]]></dcterms:creator>
    <dcterms:source><![CDATA[ Journal of Coordination Chemistry  v.62, no. 1, 2009. -- p.108-119]]></dcterms:source>
    <dcterms:publisher><![CDATA[Taylor and Francis Ltd]]></dcterms:publisher>
    <dcterms:date><![CDATA[2009]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos) <br /><strong>La legislaci&oacute;n uruguaya protege el derecho</strong> de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) <br /><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:language><![CDATA[Ingles]]></dcterms:language>
    <dcterms:type><![CDATA[Artículo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI: 10.1080/00958970802474797]]></dcterms:identifier>
</rdf:Description></rdf:RDF>
