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4. Mononuclear ZnIIcomplex of a hexadentateiminophenolate-based O,O,N,N,O,Oligand: Experimental and theoretical vision

Author

Kumar, Manoj, Ahmad, Seraj, Khatoon, Kahkashan, Javed, Saleem, Singh, Ravindra, Chandra, Ramesh, Arora, Himanshu, and Ali, Akram

Abstract

•In the current manuscript, we have reported mononuclear zinc complex of composition [Zn(L)].2H2O (1) supported by hexadentate ligand.•Density functional theory (DFT) calculation at the B3LYP level of theory has been utilized for hirshfeld surface analysis both in three-dimensional (3D) and two-dimensional (2D) perspectives to investigate the electron distribution on the molecular surface.•In current manuscript, we have attempted to evaluate interactions between ligands and proteins, as well as to uncover potential resemblances among drugs.

Published
2023
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