Chemical reactivity, molecular electrostatic potential and in-silico analysis on benzimidazole fungicide benomyl

Chemical reactivity, molecular electrostatic potential and in-silico analysis on benzimidazole fungicide benomyl

We are reporting theoretical concepts and biological activity of benomyl using different techniques. The molecular orbital contributions are studied by using Total Density of States (TDOS) analysis. The chemical reactivity of the molecule have been determined with the help of global reactivity descr...

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Bibliographic Details
Main Authors:	G.P. Sheeja Mol, D. Aruldhas, I. Hubert Joe
Format:	Article
Language:	English
Published:	Elsevier 2022-11-01
Series:	Heliyon
Subjects:	Benomyl Total density of states Global reactivity descriptors In-silico
Online Access:	http://www.sciencedirect.com/science/article/pii/S2405844022027050

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