Molecular, quantum computational, electron excitations, molecular surface properties and molecular docking studies on 3-methyl-2-phenylmorpholine

Molecular, quantum computational, electron excitations, molecular surface properties and molecular docking studies on 3-methyl-2-phenylmorpholine

The present study used the Density Functional Theory /B3LYP approach utilizing the different basis sets to perform vibrational studies on 3-methyl-2-phenylmorpholine (3M2P). Thorough essential vibration assignments were carried out according to the potential energy distribution of the vibration mode...

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Bibliographic Details
Main Authors:	E. Elamuruguporchelvi, P. Sangeetha, A. Manikandan, Saleem Javed, S. Muthu
Format:	Article
Language:	English
Published:	Elsevier 2024-06-01
Series:	Chemical Physics Impact
Subjects:	DFT NBO ELF LOL Docking MEP
Online Access:	http://www.sciencedirect.com/science/article/pii/S2667022423002669

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