A Comparison Between Different Properties of Bromoxynil and Dichlobenil by DFT Method

Asian Journal of Biological and Life Sciences ,2017,6,2,380-384.
Published:August 2017
Type:Short Communication
Authors:
Author(s) affiliations:

R.P. Singh grewal 1,*, Girija sharma2

1Applied Sciences Department, Guru Nanak Dev Engineering College, Ludhiana, Punjab, INDIA.

2Research Scholar IKGPTU, Jalandhar, Punjab, INDIA.

Abstract:

In this work, we perform a set of quantum mechanical calculations on compounds bromoxynil and Dichlobenil. Various properties bond length, dipole moment, energy, HOMO-LUMO energy gap studied by using DFT method in Gaussian calculations. The stability and chemical reactivity have been studied.

Keywords:DFT, Dipole moment, HOMO-LUMO, Nitrile Herbicides

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Published by : Pharmaceutical and Biological Society