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Stability and electronic properties of transition metal antimonides in ionic and neutral case-TMmSbn (m, n=1-2) | Abstract
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Journal of Computational Methods in Molecular Design

Abstract

Stability and electronic properties of transition metal antimonides in ionic and neutral case-TMmSbn (m, n=1-2)

Author(s): Abhishek Kumar Bajpai, Apoorva Dwivedi and Anoop Kumar Pandey

In this paper we deigned complexes in neural as well as ionic system of Transition metal antimonides with the help of gauss view. We discussed stability and electronic properties of these complexes with different parameter. Stability of these complexes in both state are calculated by structure, symmetry, binding energy and vibrational analysis. After calculation of these parameter we choose most stable isomer among all these structure in both cases. For sake of simplicity we discussed electronic properties of only most stable isomer with help of molecular orbital theory , HOMO-LUMO gap, electron affinity, potential energy, chemical hardness and softness. For compression of these complexes graphical method apply in this paper.