Mostrando 3 resultados de: 3
Subtipo de publicación
Article(3)
Publisher
Computational and Theoretical Chemistry(1)
Journal of Computational Chemistry(1)
Journal of Physical Chemistry A(1)
Área temáticas
Física aplicada(1)
Química analítica(1)
Química física(1)
Química orgánica(1)
Química y ciencias afines(1)
Origen
scopus(3)
N, 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:scopusNine questions on energy decomposition analysis
ArticleAbstract: The paper collects the answers of the authors to the following questions: Is the lack of precision iPalabras claves:chemical bonding, energy decomposition analysis, interaction energy, partitioning, status of the methodsAutores:Andrés J., Ayers P.W., Boto R.A., Chermette H., Cioslowski J., Contreras-Garcia J., Cooper D.L., Frenking G., Gatti C., Heidar-Zadeh F., Joubert L., Martín Pendás Á., Matito E., Mayer I., Misquitta A.J., Mo Y., Pilmé J., Popelier P.L.A., Rahm M., Ramón Carbö-D̈orca, Ramos-Cordoba E., Salvador P., Schwarz W.H.E., Shahbazian S., Silvi B., Solà M., Szalewicz K., Tognetti V., Weinhold F., Zins É.L.Fuentes:scopusSix questions on topology in theoretical chemistry
ArticleAbstract: The paper collects the answers of the authors to the following questions:. •What is the significancePalabras claves:Chemical concepts, Methodology, Observables, Topological methodsAutores:Ayers P.W., Boyd R.J., Bultinck P., Caffarel M., Causá M., Cioslowski J., Contreras-Garcia J., Cooper D.L., Coppens P., Gatti C., Grabowsky S., Lazzeretti P., Macchi P., Martín Pendás Á., Popelier P.L.A., Ramón Carbö-D̈orca, Ruedenberg K., Rzepa H., Savin A., Sax A., Schwarz W.H.E., Shahbazian S., Silvi B., Solà M., Tsirelson V.Fuentes:scopus