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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|June 30, 2018
Molecular structure, spectroscopic, dielectric and thermal study, nonlinear optical properties, natural bond orbital, HOMO-LUMO and molecular docking analysis of (C<sub>6</sub>Cl<sub>2</sub>O<sub>4</sub>) (C<sub>10</sub>H<sub>14</sub>N<sub>2</sub>F)<sub>2</sub>·2H<sub>2</sub>OSaadouni Hosna, Daron E Janzen, Y Sheena Mary, et al.Journal of Molecular Modeling|September 3, 2020
Spectral analysis and detailed quantum mechanical investigation of some acetanilide analogues and their self-assemblies with graphene and fullereneAljawhara H Almuqrin, Jamelah S Al-Otaibi, Y Sheena Mary, et al.Computational Biology and Chemistry|December 12, 2018
Single crystal XRD, DFT investigations and molecular docking study of 2- ((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)naphthalene-1,4-dione as a potential anti- cancer lead moleculeKavitha Rani P R, Y Sheena Mary, Annette Fernandez, et al.Journal of Molecular Liquids|January 4, 2021
Excited-state electronic properties, structural studies, noncovalent interactions, and inhibition of the novel severe acute respiratory syndrome coronavirus 2 proteins in Ripretinib by first-principle simulationsFahad A Alharthi, Nabil Al-Zaqri, Ali Alsalme, et al.Heliyon|June 13, 2020
Detailed molecular structure (XRD), conformational search, spectroscopic characterization (IR, Raman, UV, fluorescence), quantum mechanical properties and bioactivity prediction of a pyrrole analogueKatta Eswar Srikanth, A Veeraiah, T Pooventhiran, et al.Heliyon|July 16, 2019
Conformational profile, vibrational assignments, NLO properties and molecular docking of biologically active herbicide1,1-dimethyl-3-phenylureaK Haruna, Veena S Kumar, Y Sheena Mary, et al.Talanta|March 27, 2024
Disposable paper electrodes for detection of changes in dopamine concentrations in rat brain homogenatesJ Sonia, B N Kumara, Kevin Joakim Pinto, et al.Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|August 4, 2019
Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical toolsShargina Beegum, Y Sheena Mary, Y Shyma Mary, et al.Molecules (Basel, Switzerland)|February 25, 2023
Synthesis and Biological Evaluation of Octahydroquinazolinones as Phospholipase A2, and Protease Inhibitors: Experimental and Theoretical ExplorationMd Afroz Bakht, Thangaiyan Pooventhiran, Renjith Thomas, et al.Journal of Molecular Modeling|September 4, 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 dynamicsT Pooventhiran, Ephraim Felix Marondedze, Penny Poomani Govender, et al.Pageof 6