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S. Jeyavijayan

Observed names: JEYAVIJAYAN S, Jeyavijayan Subbiah, S JEYAVIJAYAN, S Jeyavijayan
ORCID: 0000-0001-7763-4659
Observed ORCID: 0000-0001-7763-4659
OpenAlex ID: A5035875665
Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 1,2-dichloro-4-nitrobenzene based on Hartree–Fock and DFT calculations
2011 · M. Arivazhagan, S. Jeyavijayan · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 100
Vibrational spectroscopic (FTIR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charge analyses of 2-ethylimidazole based on Hartree–Fock and DFT calculations
2014 · M. Arivazhagan, S. Manivel, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 88
Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations
2025 · Abduvakhid Jumabaev, Bekzod Khudaykulov, et al. · Optical Materials · 49
FTIR and FT-Raman spectra, assignments, ab initio HF and DFT analysis of xanthine
2011 · M. Arivazhagan, S. Jeyavijayan · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 37
Spectroscopic (FTIR, FT-Raman), molecular electrostatic potential, NBO and HOMO–LUMO analysis of P-bromobenzene sulfonyl chloride based on DFT calculations
2014 · S. Jeyavijayan · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 35
Molecular structure, spectroscopic (FTIR, FT-Raman, 13C and 1H NMR, UV), polarizability and first-order hyperpolarizability, HOMO–LUMO analysis of 2,4-difluoroacetophenone
2014 · S. Jeyavijayan · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 27
Electronic structure investigations of 4-aminophthal hydrazide by UV–visible, NMR spectral studies and HOMO–LUMO analysis by ab initio and DFT calculations
2015 · K. Sambathkumar, S. Jeyavijayan, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 24
Conformational stability, vibrational spectra, molecular structure, NBO and HOMO–LUMO analysis of 5-nitro-2-furaldehyde oxime based on DFT calculations
2012 · M. Arivazhagan, S. Jeyavijayan, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 21
Spectroscopic, Quantum Chemical, Docking, and Simulation Studies of a Benzothiazole‐Based Derivative With Anti‐Breast Cancer Potential
2026 · N. Siva Jyothi, J. Senthil Kumar, et al. · Chemistry & Biodiversity · 20
Spectroscopic, computational, cytotoxicity, and docking studies of 6‐bromobenzimidazole as anti‐breast cancer agent
2024 · V. S. Kunjumol, S. Jeyavijayan, et al. · Journal of Molecular Recognition · 20
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Study of density functional theory and vibrational spectra of hypoxanthine
2010 · S. Jeyavijayan, M. Arivazhagan · Indian Journal of Pure & Applied Physics · 20
Spectroscopic, computational, docking, and cytotoxicity investigations of 5-chloro-2-mercaptobenzimidazole as an anti-breast cancer medication
2024 · V. S. Kunjumol, S. Jeyavijayan, et al. · Spectroscopy Letters · 18
DFT Computation, Spectroscopic, Hirshfeld Surface, Docking and Topological Analysis on 2,2,5‐Trimethyl‐1,3‐Dioxane‐5‐Carboxylic Acid as Potent Anti‐Cancer Agent
2024 · J. Senthil kumar, N. Karthik, et al. · International Journal of Quantum Chemistry · 17
Molecular structure, vibrational spectra, NBO analysis, first hyperpolarizability, and HOMO–LUMO studies of 2-amino-4-hydroxypyrimidine by density functional method
2015 · S. Jeyavijayan · Journal of Molecular Structure · 17
Density functional theory study of FTIR and FT-Raman spectra of 7-acetoxy-4-methyl coumarin
2010 · M. Arivazhagan, K. Sambathkumar, et al. · Indian Journal of Pure & Applied Physics · 17
Computational and Spectroscopic Insights Into 4‐Methoxychalcone as a Potential Acetylcholinesterase Inhibitor: A DFT and Molecular Docking Approach
2025 · S. Sumathi, N. Karthik, et al. · International Journal of Quantum Chemistry · 15
Integrated theoretical and experimental analysis of 4-amino-N-methylphthalimide: structural, spectroscopic, and anti-breast cancer potential
2025 · N. Karthik, S. Sumathi, et al. · SAR and QSAR in environmental research · 13
Spectroscopic, DFT , In Silico, and Estimation of Biological Activity of 2,4‐Dichloro‐6,7‐Dimethoxyquinazoline as a Potential Anti‐Alzheimer's Disease Therapeutic Agent
2024 · Karthikeyan Asokan, Sumathi Sivaraman, et al. · International Journal of Quantum Chemistry · 12
Combined Experimental and Computational Investigations of 4‐Amino‐2‐Chloro‐6,7‐Dimethoxyquinazoline as Potential Anti‐Alzheimer Agent
2024 · Karthikeyan Asokan, Karthik Nallasamy, et al. · International Journal of Quantum Chemistry · 11
Raman spectroscopic analysis of ovarian cancer tissues and normal ovarian tissues
2019 · K Viswanathan, K Soumya, et al. · Laser Physics · 11
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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 calculations
2014 · J. Senthil kumar, S. Jeyavijayan, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 11
FTIR and FT-Raman spectra, molecular geometry, vibrational assignments, first-order hyperpolarizability, ab initio and DFT calculations for 3,4-dimethoxybenzonitrile
2011 · S. Jeyavijayan, M. Arivazhagan · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 11
Structural Characterization, Computational Analysis, and Anti-Breast Cancer Evaluation of N-(3-Bromopropyl)phthalimide
2025 · N Karthik, S Sumathi, et al. · Journal of Molecular Structure · 9
Spectroscopic Investigations, Quantum Chemical, Molecular Docking and Drug Likeness Studies of 3-Fluorobenzamide
2024 · S. Sumathi, S Jeyavijayan, et al. · Journal of Scientific & Industrial Research · 9
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Docking studies, molecular structure, and spectroscopic analysis of 3-chlorobenzamide as an anti-cancer agent
2024 · N Karthik, S Jeyavijayan, et al. · Indian Journal of Biochemistry and Biophysics · 9
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Works count: 68
Citation count: 747
H-index: 15
I10-index: 22
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