| Molecular structure, vibrational spectral assignments (FT-IR and FT-RAMAN), NMR, NBO, HOMO-LUMO and NLO properties of O-methoxybenzaldehyde based on DFT calculations P Vennila, M Govindaraju, G Venkatesh, C Kamal Journal of Molecular Structure 1111, 151-156, 2016 | 85 | 2016 |
| Molecular dynamic simulations, ALIE surface, Fukui functions geometrical, molecular docking and vibrational spectra studies of tetra chloro p and m-xylene G Venkatesh, C Kamal, P Vennila, M Govindaraju, YS Mary, S Armakovic, ... Journal of Molecular Structure 1171, 253-267, 2018 | 54 | 2018 |
| A complete computational and spectroscopic study of 2-bromo-1, 4-dichlorobenzene–A frequently used benzene derivative P Vennila, M Govindaraju, G Venkatesh, C Kamal, YS Mary, CY Panicker, ... Journal of Molecular Structure 1151, 245-255, 2018 | 54 | 2018 |
| Synthesis, characterization and computational studies of semicarbazide derivative M Muthukkumar, T Bhuvaneswari, G Venkatesh, C Kamal, P Vennila, ... Journal of Molecular Liquids 272, 481-495, 2018 | 53 | 2018 |
| Experimental and theoretical analysis of molecular structure, vibrational spectra and biological properties of the new Co (II), Ni (II) and Cu (II) Schiff base metal complexes RV Sakthivel, P Sankudevan, P Vennila, G Venkatesh, S Kaya, ... Journal of Molecular Structure 1233, 130097, 2021 | 50 | 2021 |
| An investigation on the molecular structure, interaction with metal clusters, anti-Covid-19 ability of 2-deoxy-D-glucose: DFT calculations, MD and docking simulations G Venkatesh, Y Sixto-López, P Vennila, YS Mary, J Correa-Basurto, ... Journal of Molecular Structure 1258, 132678, 2022 | 49 | 2022 |
| Structural, electronic and optical properties of 2, 5-dichloro-p-xylene: experimental and theoretical calculations using DFT method G Venkatesh, M Govindaraju, C Kamal, P Vennila, S Kaya RSC advances 7 (3), 1401-1412, 2017 | 41 | 2017 |
| Synthesis, Molecular structure, Spectral Characterization, Molecular docking and biological activities of (E)-N-(2-methoxy benzylidene) anthracene-2-amine and Co (II), Cu (II … P Aravindan, K Sivaraj, C Kamal, P Vennila, G Venkatesh Journal of Molecular Structure 1229, 129488, 2021 | 39 | 2021 |
| Synthesis, spectroscopic characterization, molecular docking studies and DFT calculation of novel Mannich base 1-((4-ethylpiperazin-1-yl)(2-hydroxyphenyl) methyl) naphthalen-2-ol P Vennila, G Venkatesh, Y Sixto-López, C Kamal, S Kaya, G Serdaroğlu, ... Journal of Molecular Structure 1246, 131164, 2021 | 36 | 2021 |
| Synthesis, characterization, molecular docking and molecular dynamics simulations of benzamide derivatives as potential anti-ovarian cancer agents G Raja, G Venkatesh, JS Al-Otaibi, P Vennila, YS Mary, Y Sixto-López Journal of Molecular Structure 1269, 133785, 2022 | 33 | 2022 |
| Molecular structure, vibrational spectral assignments (FT-IR and FT-RAMAN), NMR, NBO, HOMO–LUMO and NLO properties of 2-nitroacetophenone based on DFT calculations G Venkatesh, M Govindaraju, P Vennila, C Kamal Journal of Theoretical and Computational Chemistry 15 (01), 1650007, 2016 | 33 | 2016 |
| Novel D-π-A phenothiazine and dibenzofuran organic dyes with simple structures for efficient dye-sensitized solar cells K Periyasamy, P Sakthivel, P Vennila, PM Anbarasan, G Venkatesh, ... Journal of Photochemistry and Photobiology A: Chemistry 413, 113269, 2021 | 23 | 2021 |
| Structural, spectral, molecular docking, and molecular dynamics simulations of phenylthiophene-2-carboxylate compounds as potential anticancer agents P Vennila, JS Al-Otaibi, G Venkatesh, Y Sheena Mary, V Raj, N Acharjee, ... Polycyclic Aromatic Compounds 44 (1), 238-260, 2024 | 22 | 2024 |
| Investigation of corrosion inhibition of welan gum and neem gum on reinforcing steel embedded in concrete MGL Annaamalai, G Maheswaran, N Ramesh, C Kamal, G Venkatesh, ... International Journal of Electrochemical Science 13 (10), 9981-9998, 2018 | 21 | 2018 |
| Observations into the reactivity, docking, DFT, and MD simulations of fludarabine and clofarabine in various solvents G Venkatesh, S Haseena, JS Al-Otaibi, YS Mary, P Vennila, YS Mary, ... Journal of Molecular Liquids 383, 122076, 2023 | 20 | 2023 |
| Steel slag to improve the high strength of concrete SP Palanisamy, G Maheswaran, MGL Annaamalai, P Vennila Int J Chem Tech Res 7, 2499-2505, 2015 | 20 | 2015 |
| Synthesis, spectral characterizations, molecular geometries and electronic properties of phenothiazine based organic dyes for dye-sensitized solar cells S TamilSelvan, A Prakasam, G Venkatesh, C Kamal, Y Sheena Mary, ... Zeitschrift für Physikalische Chemie 235 (10), 1355-1380, 2021 | 19 | 2021 |
| Synthesis, photophysical, electrochemical, and DFT examinations of two new organic dye molecules based on phenothiazine and dibenzofuran K Periyasamy, P Sakthivel, G Venkatesh, PM Anbarasan, P Vennila, ... Journal of Molecular Modeling 28 (2), 34, 2022 | 18 | 2022 |
| Structural, spectral, DFT and biological studies on macrocyclic mononuclear ruthenium (II) complexes M Muthukkumar, C Kamal, G Venkatesh, C Kaya, S Kaya, IVMV Enoch, ... Journal of Molecular Structure 1147, 502-514, 2017 | 17 | 2017 |
| Experimental and theoretical spectral investigations of 5-chloro-ortho-methoxyaniline using FT-IR, FT-Raman and DFT analysis M Govindaraju, P Vennila Indian Journal of Chemistry-Section A (IJCA) 55 (4), 413-422, 2020 | 14 | 2020 |
