Author

R. Gayathri

Observed names: GAYATHRI, R, R Gayathri, Rajappan Gayathri

Institution: Bharathidasan University

Observed institution: Bharathidasan University

ORCID: 0000-0002-4849-0278

Observed ORCID: 0000-0002-4849-0278

OpenAlex ID: A5059431459

Molecular structure, vibrational spectroscopic, first hyperpolarizability, NBO and HOMO, LUMO studies of P-Iodobenzene sulfonyl chloride

2011 · M. Arivazhagan, S. Prabhakaran, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 27

Vibrational spectroscopy investigation and HOMO, LUMO analysis using DFT (B3LYP) on the structure of 1,3-dichloro 5-nitrobenzene

2011 · R. Gayathri, M. Arivazhagan · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 24

Medicinal Plant Using Ground State Stabilization of Natural Antioxidant Curcumin by Keto-Enol Tautomerisation

2018 · S. Manimaran, K. SambathKumar, et al. · Natural Products and Bioprospecting · 21

Experimental (FT-IR and FT-Raman) and theoretical (HF and DFT) investigation, NMR, NBO, electronic properties and frequency estimation analyses on 2,4,5-trichlorobenzene sulfonyl chloride

2012 · R. Gayathri, M. Arivazhagan · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 12

Molecular structure, vibrational investigation of 2-chloro-α-α-α-trifluoro-3,5-dinitrotoluene using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) and UV–Vis absorption spectra in organic solvents: A IEF-PCM/TD-DFT study

2013 · R. Gayathri, M. Arivazhagan · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 9

NBO, NMR, UV, FT-IR, FT-Raman spectra and molecular structure (monomeric and dimeric structures) investigation of 4-Chloro-3,5-Xylenol: A combined experimental and theoretical study

2013 · M. Arivazhagan, R. Gayathri · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 9

An experimental and theoretical investigation of the electronic structure and photoelectrical properties of 1, 4-diacetoxy-2-methylnaphthalene for DSSC application

2018 · R. Gayathri · Journal of Molecular Structure · 8

Optimization, imaging and LHE analysis of magnesium oxide nanoparticles synthesized with carambola extract as natural dye sensitizer

2024 · M. Ayisha Zeenath, R. Gayathri, et al. · Journal of the Indian Chemical Society · 5

Non-covalent interaction, topology, molecular properties, spectral and quantum chemical analysis of 2,5-dinitrophenol

2024 · S. Sindhuja, M. Karnan, et al. · Journal of the Indian Chemical Society · 5

Spectral, structural, in silico ADMET biological, factor group, and molecular docking study of 2,6-dinitrophenol

2024 · S Sindhuja, M Karnan, et al. · Journal of the Indian Chemical Society · 5

Optical, Fluorescence with quantum analysis of hydrazine (1, 3- Dinitro Phenyl) by DFT and Ab initio approach

2017 · D. Cecily Mary Glory, K. Sambathkumar, et al. · Journal of Molecular Structure · 5

Understanding field variation, quantum chemical modeling and molecular orbital analyses of trans-3-(trans-4-imidazolyl) acrylic acid

2016 · R. Gayathri, M. Arivazhagan · Journal of Molecular Structure · 2

Beyond Cation Effects: “Unveiling the Succinimide Anion's Key Role in CO 2 Fixation to Quinazoline‐2,4(1H,3H)‐dione”

2026 · Madhu Deepan Kumar, Ayisha Zeenath, et al. · ChemistrySelect

Experimental and Theoretical Characterization of Thio coumarin by NLO single crystal in DFT Calculations

2021 · K.SAMBATH KUMAR, N. Rajkamal, et al. · Research Square

Study on N-(4-Chlorobenzoyl) Fenamic Acid Crystal-Density Functional Theory Approach

2020 · D. C. Mary Glory, K. Sambathkumar, et al. · Sensor Letters

Growth and Characterization of ÃÂ²- Sulfanilamide from Gel Medium

2016 · C. Muthuselvi, R. Gayathri, et al. · Journal of chemical and pharmaceutical research

Works count: 17

Citation count: 132

H-index: 7

I10-index: 4