Utsab Bhattacharyya

Detailed spectra, electronic properties, qualitative non-covalent interaction analysis, solvatochromism, docking and molecular dynamics simulations in different solvent atmosphere of cenobamate

T. Pooventhiran, Utsab Bhattacharyya, D. Jagadeeswara Rao et al. · Structural Chemistry · 2020 · 71 citations

Natural Sciences, Chemistry, Computational Chemistry +16

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

P. Surendar, T. Pooventhiran, Shameela Rajam et al. · Journal of Molecular Liquids · 2021 · 53 citations

Pharmacy, Chemistry, Medicinal Chemistry +6

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

T. Pooventhiran, Nabil Al‐Zaqri, Ali Alsalme et al. · Journal of Molecular Liquids · 2020 · 49 citations

Natural Sciences, Chemistry, Materials Science +17

Structural investigations, quantum mechanical studies on proton and metal affinity and biological activity predictions of selpercatinib

Nabil Al‐Zaqri, T. Pooventhiran, Fahad A. Alharthi et al. · Journal of Molecular Liquids · 2020 · 32 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +14

Structural aspects, reactivity analysis, wavefunction based properties, cluster formation with helicene and subsequent detection from surface enhancement in Raman spectra of triclabendazole studies using first principle simulations

T. Pooventhiran, Renjith Thomas, Utsab Bhattacharyya et al. · Vietnam Journal of Chemistry · 2021 · 29 citations · Full text

Natural Sciences, Chemistry, Physics +16