A THEORETICAL QUANTUM STUDY OF THE ELECTRONIC PROPERTIES OF MENTOXY DICHLORO PHOSPHOROUS (C10H19OPCl2)

ABSTRACT A theoretical quantum study of the organophosphorus compound with formula C10H19OPCl2 (MEPCL2) was carried out. The results of the calculations show excellent agreement between experimental and computed frequencies evaluated at the B3LYP/6-311++G(d,p) level of theory. A study of the electro...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Lashgari,Amir, Ghamami,Shahriar, Govindarajan,M., Salgado-Morán,Guillermo, Montes Romero,Paola, Gerli Candia,Lorena
Lenguaje:English
Publicado: Sociedad Chilena de Química 2018
Materias:
DFT
HF
Acceso en línea:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072018000103887
Etiquetas: Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!