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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Auteurs principaux: Lashgari,Amir, Ghamami,Shahriar, Govindarajan,M., Salgado-Morán,Guillermo, Montes Romero,Paola, Gerli Candia,Lorena
Langue:English
Publié: Sociedad Chilena de Química 2018
Sujets:
DFT
HF
Accès en ligne:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072018000103887
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