| Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 1, 2-dichloro-4-nitrobenzene based on Hartree–Fock and DFT calculations M Arivazhagan, S Jeyavijayan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 79 (2 …, 2011 | 102 | 2011 |
| 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 | 58 | 2015 |
| FTIR and FT-Raman spectra, assignments, ab initio HF and DFT analysis of xanthine M Arivazhagan, S Jeyavijayan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 79 (1 …, 2011 | 46 | 2011 |
| Density functional theory study of FTIR and FT-Raman spectra of 7-acetoxy-4-methyl coumarin M Arivazhagana, K Sambathkumarb, S Jeyavijayanc NISCAIR-CSIR, India, 2010 | 39 | 2010 |
| Study of density functional theory and vibrational spectra of hypoxanthine S Jeyavijayan, M Arivazhagan NISCAIR-CSIR, India, 2010 | 38 | 2010 |
| Electronic structure investigations of 4-aminophthal hydrazide by UV–visible, NMR spectral studies and HOMO–LUMO analysis by ab initio and DFT calculations K Sambathkumar, S Jeyavijayan, M Arivazhagan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 147, 124-138, 2015 | 29 | 2015 |
| Molecular structure, spectroscopic (FTIR, FT-Raman, 13C and 1H NMR, UV), polarizability and first-order hyperpolarizability, HOMO–LUMO analysis of 2, 4-difluoroacetophenone S Jeyavijayan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 553-566, 2015 | 26 | 2015 |
| Conformational stability, vibrational spectra, molecular structure, NBO and HOMO–LUMO analysis of 5-nitro-2-furaldehyde oxime based on DFT calculations M Arivazhagan, S Jeyavijayan, J Geethapriya Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 104, 14-25, 2013 | 22 | 2013 |
| Spectroscopic (FTIR, FT-Raman), molecular electrostatic potential, NBO and HOMO–LUMO analysis of P-bromobenzene sulfonyl chloride based on DFT calculations S Jeyavijayan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 890-899, 2015 | 20 | 2015 |
| Molecular structure and vibrational spectroscopic studies of 1-nitro-4-(trifluoromethoxy) benzene by density functional method M Arivazhagan, S Jeyavijayan NISCAIR-CSIR, India, 2011 | 17 | 2011 |
| FTIR and FT-Raman spectra, molecular geometry, vibrational assignments, first-order hyperpolarizability, ab initio and DFT calculations for 3, 4-dimethoxybenzonitrile S Jeyavijayan, M Arivazhagan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 81 (1 …, 2011 | 13 | 2011 |
| Molecular structure, vibrational spectra, NBO analysis, first hyperpolarizability, and HOMO–LUMO studies of 2-amino-4-hydroxypyrimidine by density functional method S Jeyavijayan Journal of Molecular Structure 1085, 137-146, 2015 | 12 | 2015 |
| FTIR, FT-Raman spectra and DFT analysis of m-nitrobenzaldehyde oxime S Jeyavijayan, M Arivazhagan NISCAIR-CSIR, India, 2012 | 12 | 2012 |
| Synthesis, optical and morphological studies of ZnO nanoparticles capped with PVP as a surfactant K Gurushankar, S Jeyavijayan, M Gohulkumar, K Viswanathan International Journal of Chemical Sciences 16 (1), 1-7, 2018 | 11 | 2018 |
| Raman spectroscopic analysis of ovarian cancer tissues and normal ovarian tissues K Viswanathan, K Soumya, K Gurusankar, S Jeyavijayan Laser Physics 29 (4), 045701, 2019 | 9 | 2019 |
| Spectroscopic (FT-IR and FT-Raman) investigation, first order hyperpolarizability, NBO, HOMO–LUMO and MEP analysis of 6-nitrochromone by ab initio and density functional theory … S Jeyavijayan, M Arivazhagan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 771-781, 2015 | 7 | 2015 |
| Structure, Spectroscopic Investigation, Molecular Docking and In vitro Cytotoxicity Studies on 4,7-dihydroxycoumarin: A Breast Cancer Drug M Ramuthai, S Jeyavijayan, R Premkumar, M Uma Priya, ND Jayram Journal of Computational Biophysics and Chemistry 21 (02), 219-236, 2022 | 6 | 2022 |
| Molecular Structure, Spectroscopic Investigation, Docking and in Vitro Cytotoxicity Studies of 7-Methoxycoumarin as anti-Leukemia Agent M Ramuthai, S Jeyavijayan, ND Jayram Polycyclic Aromatic Compounds 42 (10), 6988-7009, 2022 | 5 | 2022 |
| Vibrational spectral investigation, NBO, first hyperpolarizability and UV–Vis spectral analysis of 3, 5-dichlorobenzonitrile and m-bromobenzonitrile by ab initio and density … S Jeyavijayan, M Arivazhagan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 234-246, 2015 | 5 | 2015 |
| Structural, spectroscopic, NBO and molecular docking analysis of 5-nitrobenzimidazole–A DFT approach P Murugan, S Jeyavijayan, M Ramuthai, RB Narmadha Polycyclic Aromatic Compounds 43 (4), 2889-2907, 2023 | 4 | 2023 |
