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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| 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 |
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| 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 |
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