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...

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Bibliographic Details
Main Authors: Lashgari,Amir, Ghamami,Shahriar, Govindarajan,M., Salgado-Morán,Guillermo, Montes Romero,Paola, Gerli Candia,Lorena
Language:English
Published: Sociedad Chilena de Química 2018
Subjects:
DFT
HF
Online Access:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072018000103887
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