Communication · Volume 6, Issue 2 · pp. 380-384
A Comparison Between Different Properties of Bromoxynil and Dichlobenil by DFT Method
R.P. Singh grewal1, 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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