Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulations

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dc.contributor.authorMary, Y. S.
dc.contributor.authorMary, Y. S.
dc.contributor.authorArmakovic, S.
dc.contributor.authorMane, P.
dc.contributor.authorChakraborty, B.
dc.date.accessioned2022-06-14T06:34:22Z
dc.date.available2022-06-14T06:34:22Z
dc.date.issued2021
dc.description.divisionSRS;Seis. Div.en
dc.format.extent4509 bytes
dc.format.mimetypetext/html
dc.identifier.sourceJournal of Molecular Liquids, 2021. Vol. 335: Article no. 116192en
dc.identifier.urihttp://hdl.handle.net/123456789/24631
dc.language.isoenen
dc.subjectDFTen
dc.subjectAdsorptionen
dc.subjectMD simulationsen
dc.subjectBrucineen
dc.subjectColchicineen
dc.subjectAutoxidationen
dc.titleStability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulationsen
dc.typeArticleen

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