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 |
| FullText | Links: – Type: pdflink Text: Availability: 0 |
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| Header | DbId: asn DbLabel: Academic Search Ultimate An: 188625707 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: 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 – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Modak%2C+R%2E%22">Modak, R.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Raish%2C+M%2E%22">Raish, M.</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Guin%2C+M%2E%22">Guin, M.</searchLink><relatesTo>3</relatesTo> (AUTHOR)<i> mridula.guin@sharda.ac.in</i><br /><searchLink fieldCode="AR" term="%22Paul%2C+S%2E%22">Paul, S.</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Bag%2C+S%2E%22">Bag, S.</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Jana%2C+A%2E%22">Jana, A.</searchLink><relatesTo>5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Konar%2C+S%2E%22">Konar, S.</searchLink><relatesTo>6</relatesTo> (AUTHOR)<i> saugata.konar@gmail.com</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Russian+Journal+of+Physical+Chemistry+B%3A+Focus+on+Physics%22">Russian Journal of Physical Chemistry B: Focus on Physics</searchLink>. Oct2025, Vol. 19 Issue 5, p1032-1044. 13p. |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=188625707 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1134/S1990793125700721 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 13 StartPage: 1032 Titles: – TitleFull: 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 Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Modak, R. – PersonEntity: Name: NameFull: Raish, M. – PersonEntity: Name: NameFull: Guin, M. – PersonEntity: Name: NameFull: Paul, S. – PersonEntity: Name: NameFull: Bag, S. – PersonEntity: Name: NameFull: Jana, A. – PersonEntity: Name: NameFull: Konar, S. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 10 Text: Oct2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 19907931 Numbering: – Type: volume Value: 19 – Type: issue Value: 5 Titles: – TitleFull: Russian Journal of Physical Chemistry B: Focus on Physics Type: main |
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