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G.P. Sheeja Mol

Observed names: G. P. Sheeja Mol, Gilbert Pushpam Sheeja Mol, Mol, Gilbert Pushpam Sheeja, P., Sheeja Mol G., Sheeja Mol G. P., Sheeja Mol G.P.
ORCID: 0000-0002-1688-5427
Observed ORCID: 0000-0002-1688-5427
OpenAlex ID: A5086516028
Spectroscopic (FT-IR, FT-Raman, UV–Vis and NMR) and computational (DFT, MESP, NBO, NCI, LOL, ELF, RDG and QTAIM) profiling of 5‑chloro-2‑hydroxy-3-methoxybenzaldehyde: A promising antitumor agent
2023 · A. Ram Kumar, L. Ilavarasan, et al. · Journal of Molecular Structure · 119
Spectroscopic, Biological, and Topological Insights on Lemonol as a Potential Anticancer Agent
2023 · A. Ram Kumar, S. Selvaraj, et al. · ACS Omega · 86
Comparison of spectroscopic, structural, and molecular docking studies of 5-nitro-2-fluoroaniline and 2-nitro-5-fluoroaniline: An attempt on fluoroaniline isomers
2023 · A. Ram Kumar, S. Selvaraj, et al. · Journal of Fluorine Chemistry · 47
Synthesis, solvent-solute interactions (polar and non-polar), spectroscopic insights, topological aspects, Fukui functions, molecular docking, ADME, and donor-acceptor investigations of 2-(trifluoromethyl)benzimidazole: A promising candidate for antitumor pharmacotherapy
2023 · A. Ram Kumar, S. Selvaraj, et al. · Journal of Molecular Liquids · 30
Exploring the potential of diosgenin as a promising antitumor agent through comprehensive spectroscopic characterization, solvent–solute interactions, topological properties, Hirshfeld surface, and molecular docking interactions with 2NZT and 2I1V proteins
2024 · A. Ram Kumar, S. Selvaraj, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 29
Structural activity, fungicidal activity and molecular dynamics simulation of certain triphenyl methyl imidazole derivatives by experimental and computational spectroscopic techniques
2018 · G.P. Sheeja Mol, D. Aruldhas, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 29
Chemical Reactivity, Molecular Electrostatic Potential and In-Silico Analysis on Benzimidazole Fungicide Benomyl
2022 · G.P. Sheeja Mol, D. Aruldhas, et al. · Heliyon · 22
Structural activity (monomer and dimer), spectroscopic analysis, chemical reactivity, fungicidal activity and molecular dynamics simulation of phenyl benzamide fungicides: A combined experimental and theoretical approach
2019 · G.P. Sheeja Mol, D. Aruldhas, et al. · Journal of Molecular Structure · 19
Spectroscopic investigation, fungicidal activity and molecular dynamics simulation on benzimidazol-2-yl carbamate derivatives
2018 · G.P. Sheeja Mol, D. Aruldhas, et al. · Journal of Molecular Structure · 17
Insights into structural, vibrational, and chemical shift characteristics, solvents impact (polar and nonpolar) on electronic properties and reactive sites, ADMET predictions, and ligand-protein interactions for antiviral drugs safrole and isosafrole: An in-silico approach
2023 · A. Ram Kumar, S. Selvaraj, et al. · Chemical Physics Impact · 16
Spectroscopic and molecular structure investigation of Propachlor herbicide: A combined experimental and theoretical study
2020 · N. Suma, D. Aruldhas, et al. · Journal of Molecular Structure · 16
Modeling the structural and reactivity properties of capsaicin [(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide] wavefunction-dependent properties, pharmacokinetics, in-silico analysis, and molecular dynamics simulation
2024 · G.P. Sheeja Mol, D. Aruldhas, et al. · Journal of Molecular Structure · 14
Experimental and theoretical investigations of prifinium bromide: structural insights, spectroscopic features, topological aspects, and biological properties
2025 · S. Selvaraj, A. Ram Kumar, et al. · International Journal of Applied Science and Engineering · 12
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Experimental and theoretical spectroscopic analysis, chemical reactivity and fungicidal activity study on benalaxyl along with quantum chemical computation on metalaxyl and furalaxyl
2018 · G.P. Sheeja Mol, D. Aruldhas, et al. · Chemical Data Collections · 11
An Investigation on the Molecular Structure, Anti-Inflammatory Ability of (E) -3-(3-Chlorophenyl)- N-(4-Hydroxy-3-Methoxy Benzyl) Acryl Amide: DFT Calculations and Docking Simulations
2023 · Sheeja Mol G. P., Arul Dhas, et al. · Polycyclic aromatic compounds · 7
Quantum chemical investigations, Hirschfeld surface analysis, FMO, MESP, topology analyses, in-silico analysis and pharmacokinetics properties of 3-chloro-N-(4-hydroxy-3-methoxy-benzyl)-2,2-dimethyl propanamide [CHMBDP]
2024 · Sheeja Mol G.P., D. Aruldhas, et al. · Molecular Crystals and Liquid Crystals · 6
Normal coordinate analysis and fungicidal activity study on anilazine and its related compound using spectroscopic techniques
2016 · Gilbert Pushpam Sheeja Mol, Deva Dhas Arul Dhas, et al. · Chemical Physics Letters · 6
Investigations of vibrational spectra and bioactivity of ethyl N-[1-(piperidin-1-ylmethyl)benzimidazol-2-yl]carbamate
2018 · G.P. Sheeja Mol, D. Aruldhas · Bulletin of Pure & Applied Sciences- Chemistry · 1
Microwave-assisted synthesis and multifunctional insights of a tetraazamacrocyclic Schiff base: spectral analysis, DFT, molecular docking, NLO and bioactivity
2026 · J. P. Remiya, B. Shyni, et al. · Journal of Inclusion Phenomena and Macrocyclic Chemistry
Legal perspectives on green-synthesized sustainable antibacterial solutions: a review
2025 · Pinkie Cherian, Bincy John, et al. · Elsevier eBooks
List of contributors
2025 · Muthusamy Ananthasubramanian, V.S. Angulakshmi, et al. · Elsevier eBooks
An Investigation on the Molecular Structure, Anti-Inflammatory Ability of (E) -3-(3-Chlorophenyl)- N-(4-Hydroxy-3-Methoxy Benzyl) Acryl Amide: DFT Calculations and Docking Simulations
2023 · P., Sheeja Mol G., Dhas, Arul, et al. · Figshare
Works count: 23
Citation count: 487
H-index: 12
I10-index: 14
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