| A novel biogenic Allium cepa leaf mediated silver nanoparticles for antimicrobial, antioxidant, and anticancer effects on MCF-7 cell line M Mani, MK Okla, S Selvaraj, AR Kumar, S Kumaresan, A Muthukumaran, ... Environmental Research 198, 111199, 2021 | 86 | 2021 |
| Vibrational (FT-IR and FT-Raman), electronic (UV–vis) and quantum chemical investigations on pyrogallol: A study on benzenetriol dimers S Selvaraj, P Rajkumar, K Thirunavukkarasu, S Gunasekaran, ... Vibrational Spectroscopy 95, 16-22, 2018 | 60 | 2018 |
| 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 … A Ram Kumar, L Ilavarasan, GP Sheeja Mol, S Selvaraj, M Azam, ... Journal of Molecular Structure 1298, 136974, 2024 | 56 | 2024 |
| Vibrational and electronic spectral analysis of thymol an isomer of carvacrol isolated from Trachyspermum ammi seed: A combined experimental and theoretical study P Rajkumar, S Selvaraj, R Suganya, D Velmurugan, S Gunasekaran, ... Chemical Data Collections 15, 10-31, 2018 | 53 | 2018 |
| Vibrational (FT-IR and FT-Raman), electronic (UV–Vis), NMR (1H and 13C) spectra and molecular docking analyses of anticancer molecule 4-hydroxy-3-methoxycinnamaldehyde K Thirunavukkarasu, P Rajkumar, S Selvaraj, R Suganya, M Kesavan, ... Journal of Molecular Structure 1173, 307-320, 2018 | 52 | 2018 |
| Structural (monomer and dimer), spectroscopic (FT-IR, FT-Raman, UV–Vis and NMR) and solvent effect (polar and nonpolar) studies of 2‑methoxy-4-vinyl phenol P Rajkumar, S Selvaraj, P Anthoniammal, A Ram Kumar, K Kasthuri, ... Chemical Physics Impact 7, 100257, 2023 | 41 | 2023 |
| Spectroscopic and structural investigations on modafinil by FT-IR, FT-Raman, NMR, UV–Vis and DFT methods S Selvaraj, P Rajkumar, M Kesavan, K Thirunavukkarasu, S Gunasekaran, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 224, 117449, 2020 | 41 | 2020 |
| Comparison of spectroscopic, structural, and molecular docking studies of 5-nitro-2-fluoroaniline and 2-nitro-5-fluoroaniline: An attempt on fluoroaniline isomers AR Kumar, S Selvaraj, P Anthoniammal, RJ Ramalingam, R Balu, ... Journal of Fluorine Chemistry 270, 110167, 2023 | 37 | 2023 |
| Multi-spectroscopic (FT-IR, FT-Raman, 1H NMR and 13C NMR) investigations on syringaldehyde A Ram Kumar, S Selvaraj, KS Jayaprakash, S Gunasekaran, ... Journal of Molecular Structure, 129490, 2020 | 37 | 2020 |
| Experimental and theoretical investigations on spectroscopic properties of tropicamide S Selvaraj, P Rajkumar, M Kesavan, S Gunasekaran, S Kumaresan Journal of Molecular Structure 1173, 52-62, 2018 | 37 | 2018 |
| Synthesis, solvent-solute interactions (polar and non-polar), spectroscopic insights, topological aspects, Fukui functions, molecular docking, ADME, and donor-acceptor … A Ram Kumar, S Selvaraj, GP Sheeja Mol, M Selvaraj, L Ilavarasan, ... Journal of Molecular Liquids 393, 123661, 2024 | 36 | 2024 |
| Spectroscopic, Structural and Molecular Docking Studies on N, N-Dimethyl-2-[6-methyl-2-(4-methylphenyl) Imidazo [1, 2-a] pyridin-3-yl] Acetamide A Ram Kumar, N Kanagathara, S Selvaraj Physical Chemistry Research 12 (1), 95-107, 2024 | 34 | 2024 |
| Spectroscopic and quantum chemical investigations on structural isomers of dihydroxybenzene S Selvaraj, P Rajkumar, M Kesavan, S Gunasekaran, S Kumaresan, ... Journal of Molecular Structure 1196, 291-305, 2019 | 31 | 2019 |
| Electronic Structure, Vibrational (FT-IR and FT-Raman), UV–Vis and NMR analysis of 5-(4-(2-(5-ethylpyridin-2-yl) ethoxy) benzyl) thiazolidine-2, 4-dione by Quantum Chemical method K. Thirunavukkarasu, P. Rajkumar, S. Selvaraj, S. Gunasekaran, S. Kumaresan Chemical Data Collections, 263-275, 2018 | 31 | 2018 |
| Experimental and theoretical analyzes on structural and spectroscopic properties of monomer and dimeric form of (S)-Piperidine-2-Carboxylic acid: An attempt on medicinal plant S Selvaraj, P Rajkumar, M Kesavan, S Gunasekaran, S Kumaresan Vibrational Spectroscopy 100, 30-39, 2019 | 28 | 2019 |
| Experimental and Theoretical Spectroscopic Studies of the Electronic Structure of 2-Ethyl-2-phenylmalonamide S Selvaraj, A Ram Kumar, T Ahilan, M Kesavan, G Serdaroglu, ... Physical Chemistry Research 10 (3), 333-344, 2022 | 27 | 2022 |
| Experimental and theoretical investigations on electronic structure of 5-(hydroxymethyl)-2-furaldehyde: An antisickling agent identified from terminalia bellirica P Rajkumar, S Selvaraj, R Suganya, M Kesavan, G Serdaroğlu, ... Chemical Data Collections 29, 100498, 2020 | 27 | 2020 |
| Multi spectroscopic and computational investigations on the electronic structure of oxyclozanide S Selvaraj, A Ram Kumar, T Ahilan, M Kesavan, S Gunasekaran, ... Journal of the Indian Chemical Society 99 (10), 100676, 2022 | 25 | 2022 |
| Insights into structural, vibrational, and chemical shift characteristics, solvents impact (polar and nonpolar) on electronic properties and reactive sites, ADMET predictions … A Ram Kumar, S Selvaraj, P Rajkumar, J Dhanalakshmi, M Kumar, ... Chemical Physics Impact, 100443, 2023 | 24 | 2023 |
| A combined experimental and theoretical study on 4‑hydroxy carbazole by FT-IR, FT-Raman, NMR, UV–visible and quantum chemical investigations S Selvaraj, P Rajkumar, M Kesavan, K Mohanraj, S Gunasekaran, ... Chemical Data Collections 17, 302-311, 2018 | 24 | 2018 |
Dr. P. RAJKUMAR M.Sc., Ph.D.,Department of Molecular Physics, Saveetha School of Engineering, SIMATS-Chennai-602105Patvirtintas el. paštas saveetha.com