Mostrando 2 resultados de: 2
Filtros aplicados
Subtipo de publicación
Article(2)
Área de conocimiento
Química teórica(1)
Objetivos de Desarrollo Sostenible
ODS 12: Producción y consumo responsables(2)
ODS 7: Energía asequible y no contaminante(2)
ODS 9: Industria, innovación e infraestructura(2)
Origen
scopus(2)
MCSCF-CAS calculation of the charge topology of model oxygen adsorption sites in MgO and LiO
ArticleAbstract: It was found that the topology of the Laplacian of the molecular charge distribution can be used inPalabras claves:Autores:Murgich J., Rodríguez J.A., Ruette F., Yosslen R. ArayFuentes:scopusMO ab initio MCSCF calculation of the charge topology in the H abstraction from CH<inf>4</inf> by MgO and LiO molecules
ArticleAbstract: MCSCF-CAS and SCF ab initio calculations were carried out for the abstraction of H from CH4 by MgO aPalabras claves:Autores:Murgich J., Rodríguez J.A., Ruette F., Yosslen R. ArayFuentes:scopus