Abstract

A Comparison Between Different Properties of Bromoxynil and its Derivatives by DFT Method

R.P. Singh Grewal¹ and Girija Sharma²

DOI : http://dx.doi.org/10.13005/ojc/330565

Abstract:

In this work, we perform a set of quantum mechanical calculations on compounds bromoxynil and its derivatives. Various properties entropy, dipole moment, energy, IR spectra studied by using DFT method in Gaussian calculations. The solubility and inhibition power of these compounds compared with each other. IR frequencies compared with experimental values.

Keywords:

DFT; Bromoxynil; Dipole moment; entropy; IR spectra

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