Mostrando 2 resultados de: 2
Filtros aplicados
Subtipo de publicación
Article(2)
Área temáticas
Química analítica(2)
Química física(2)
Electricidad y electrónica(1)
Química inorgánica(1)
Origen
scopus(2)
Non-Born-Oppenheimer nuclear and electronic densities for a three-particle Hooke-Coulomb model
ArticleAbstract: Non-Born-Oppenheimer, nBO, one-particle nuclear and electron densities for a Hooke-Coulomb model ofPalabras claves:Hooke-Coulomb model, Non-Born-Oppenheimer, One-particle densitiesAutores:Andrés S. Urbina, C. G. Rodríguez, Dennis Cazar Ramirez, Eduardo V. Ludeña, Fernando Javier TorresFuentes:scopusInsights on the aromaticity of imidazolylidene carbenes by means of DFT calculations
ArticleAbstract: The effect of sixteen substituents on the structure of imidazolylidene carbenes was studied using fiPalabras claves:Aromatic fluctuation index, Aromatic stabilization energy, Harmonic oscillator model of aromaticity, Imidazolylidene carbenes, Nuclear independent chemical shift, Singlet-triplet energy gapAutores:Andrés S. Urbina, César H. Zambrano, Fernando Javier Torres, Luis RinconFuentes:scopus