Mostrando 4 resultados de: 4
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Article(4)
Publisher
Journal of Physical Chemistry A(2)
Journal of Molecular Modeling(1)
Physical Chemistry Chemical Physics(1)
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Química orgánica(2)
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Ciencia de materiales(1)
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ODS 12: Producción y consumo responsables(4)
ODS 9: Industria, innovación e infraestructura(4)
A computational study of bulk porous two-dimensional polymers related to graphyne
ArticleAbstract: Over the last twelve years there has been an explosion in the area of reticular chemistry with severPalabras claves:Autores:Ángel Sánchez-González, Dobado J.A., Torneiro M.Fuentes:scopusChemical bonding to N, P, and As in ylides and their boron analogues
ArticleAbstract: Ab initio (MP2/6-311+G*) and density functional theory (B3LYP/6-311+G*) calculations have been perfoPalabras claves:Autores:Ángel Sánchez-González, Dobado J.A., Martínez-García H., Melchor S.Fuentes:scopusN, P, and As ylides and aza- and arsa-wittig reactions from topological analyses of electron density
ArticleAbstract: The nature of bonding between N, P, and As constituent atoms in ylide systems with the R3XYR′ formulPalabras claves:Autores:Andrés J., Ángel Sánchez-González, Dobado J.A., Melchor S., Silvi B.Fuentes:scopusThe role of weak interactions in lignin polymerization
ArticleAbstract: Lignin is the most abundant natural polymer composed by aromatic moieties. Its chemical compositionPalabras claves:density functional theory, Lignin polymerization, Monolignols, QTAIMAutores:á. Sanchez González, Ángel Sánchez-González, Dobado J.A., Martín-Martínez F.J.Fuentes:rraaescopus