Utsab Bhattacharyya

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Area:
Computational Chemistry, Synthetic Organic Chemistry
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"Utsab Bhattacharyya"
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Publications

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Pooventhiran T, Marondedze EF, Govender PP, et al. (2021) Energy and reactivity profile and proton affinity analysis of rimegepant with special reference to its potential activity against SARS-CoV-2 virus proteins using molecular dynamics. Journal of Molecular Modeling. 27: 276
Al-Zaqri N, Pooventhiran T, Alharthi FA, et al. (2021) Structural investigations, quantum mechanical studies on proton and metal affinity and biological activity predictions of selpercatinib. Journal of Molecular Liquids. 325: 114765
Bhattacharyya U, Pooventhiran T, Thomas R. (2021) Adsorption of the drug bempedoic acid over different 2D/3D nanosurfaces and enhancement of Raman activity enabling ultrasensitive detection: First principle analysis. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 254: 119630
Surendar P, Pooventhiran T, Rajam S, et al. (2021) Quasi liquid Schiff bases from trans-2-hexenal and cytosine and l-leucine with potential antieczematic and antiarthritic activities: Synthesis, structure and quantum mechanical studies Journal of Molecular Liquids. 334: 116448
Pooventhiran T, Al-Zaqri N, Alsalme A, et al. (2021) Structural aspects, conformational preference and other physico-chemical properties of Artesunate and the formation of self-assembly with graphene quantum dots: A first principle analysis and surface enhancement of Raman activity investigation Journal of Molecular Liquids. 325: 114810
Bhattacharyya U, Thomas R, Puchta R. (2021) The proton sponge 1,8-bis(dimethylamino)naphthalene: The quicker-picker-upper also for s-block metal cations? Chemical Physics Letters. 777: 138735
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