Vibrational spectroscopic (FTIR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charge analyses of 2-ethylimidazole based on Hartree–Fock and DFT … M Arivazhagan, S Manivel, S Jeyavijayan, R Meenakshi Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 134, 493-501, 2015 | 69 | 2015 |
Schiff base (Z)-4-((furan-2-ylmethylene) amino) benzenesulfonamide: synthesis, solvent interactions through hydrogen bond, structural and spectral properties, quantum chemical … S Manivel, BS Gangadharappa, N Elangovan, R Thomas, OAA Ali, ... Journal of Molecular Liquids 350, 118531, 2022 | 51 | 2022 |
Synthesis, characterization, computational, excited state properties, wave function and molecular docking studies of (E)-1-(perfluorophenyl)-N-(p-tolyl) methanimine J Geethapriya, A Shanthidevi, M Arivazhagan, N Elangovan, S Sowrirajan, ... Journal of the Indian Chemical Society 99 (12), 100785, 2022 | 19 | 2022 |
Solid state synthesis of a fluorescent Schiff base (E)-1-(perfluorophenyl)-N-(o-toly) methanimine followed by computational, quantum mechanical and molecular docking studies J Geethapriya, AR Devaraj, K Gayathri, R Swadhi, N Elangovan, ... Results in Chemistry 5, 100819, 2023 | 9 | 2023 |
Theoretical studies on molecular structure and vibrational spectra of 2, 4-difluoro-1-methoxy benzene and 1-chloro-3-methoxy benzene RR Subbulakshmi, E Palanichamy, M Arivazhagan, S Manivel Int J Sci Res Phys Appl Sci 7 (3), 34-48, 2019 | 3 | 2019 |
Synthesis, spectral, DFT, topology, NCI and molecular docking studies of (1E, 1′ E)-N, N'-(sulfonylbis (4, 1-phenylene)) bis (1-(4-bromophenyl) methanimine) V Tamilselvi, M Arivazhagan, M Thirumavalavan, K Sugumar, S Manivel, ... Journal of Molecular Structure, 138808, 2024 | | 2024 |
Vibrational Spectroscopic Investigation, Homo-Lumo, Nlo, and NBO Analyses ofAlpha, Alpha-Dibromo–M-Chloro Toluene LFA Amirtharaja, S Manivelb, M Arivazhagan | | 2018 |
Results in Chemistry J Geethapriya, AR Devaraj, K Gayathri, R Swadhi, N Elangovan, ... | | |