Analyses on the reactivity, topology and bioactivity of Fluazinam using density functional theory

Analyses on the reactivity, topology and bioactivity of Fluazinam using density functional theory

Quantum chemical computations were initiated to perform geometry optimization of Fluazinam by B3LYP/6–311 ++ G (d, p) basis set employing the DFT approach. Sample of Fluazinam dissolved in dichloromethane yielded single crystals for analysis through slow evaporation technique. For the objective of c...

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Bibliographic Details
Main Authors:	R. Godwini, J.Clemy Monicka, S.Grace Victoria
Format:	Article
Language:	English
Published:	Elsevier 2023-12-01
Series:	Chemical Physics Impact
Subjects:	DFT Topology analysis Molecular docking
Online Access:	http://www.sciencedirect.com/science/article/pii/S2667022423001482

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