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Deciphering Supramolecular Interactions and Electronic Behavior via Frontier Molecular Orbitals, Time-Dependent Density Functional Theory and Molecular Electrostatic Potential Analyses of Pyrimidine Based Mn(II) Complex with Hirshfeld Surface Analysis and Binding with Serum Albumin Using Molecular Docking Studies

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Bibliographic Details
Title: Deciphering Supramolecular Interactions and Electronic Behavior via Frontier Molecular Orbitals, Time-Dependent Density Functional Theory and Molecular Electrostatic Potential Analyses of Pyrimidine Based Mn(II) Complex with Hirshfeld Surface Analysis and Binding with Serum Albumin Using Molecular Docking Studies
Authors: Modak, R.1 (AUTHOR), Raish, M.2 (AUTHOR), Guin, M.3 (AUTHOR) mridula.guin@sharda.ac.in, Paul, S.4 (AUTHOR), Bag, S.4 (AUTHOR), Jana, A.5 (AUTHOR), Konar, S.6 (AUTHOR) saugata.konar@gmail.com
Source: Russian Journal of Physical Chemistry B: Focus on Physics. Oct2025, Vol. 19 Issue 5, p1032-1044. 13p.
Database: Academic Search Ultimate
Description
ISSN:19907931
DOI:10.1134/S1990793125700721