Molecular structure, different solvents interaction, thermodynamic, electronic, topological, and chemical behaviors of cis-2,6-dimethylpiperazin- anti depression agent

Molecular structure, different solvents interaction, thermodynamic, electronic, topological, and chemical behaviors of cis-2,6-dimethylpiperazin- anti depression agent

The Cis-2,6-Dimethylpiperazin has undergone wave function analysis to determine the topological characteristics. The vibrational and ultraviolet-visible spectroscopy investigations were carried out. By advocating Density Functional Theory as a technique, the optimized structure is computed. Polariza...

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Bibliographic Details
Main Authors: S. Gayathri, M. Saravanakumar, R. Rajesh, S. Sakthivel, A. Manikandan, K. Venkata Prasad, S. Muthu, Saleem Javed
Format: Article
Language:English
Published: Elsevier 2024-06-01
Series:Chemical Physics Impact
Subjects:
DFT
NBO
Solvation
MEP
Molecular docking
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022423002724

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http://www.sciencedirect.com/science/article/pii/S2667022423002724

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