CALCULATION QUANTUMM PARAMETERS AND SIMULATION OF SOME MILITARY TOXICITIES BY HYPERCHEM SOFTWAVE

Abstract

In this paper, we used Hyperchem softwave to calculate the quantum parameters and simulate some
military toxicities such as dioxine, CS, Yperit. They were calculated molecular energy, some structure
parameters, free electron density, link length, molecular simulation. Solving the relationship between
the structure and properties of this toxicities. From which to find the antidote and the method of
detoxification.