Density functional theory studyof FTIRand FTRaman spectra of 4- acetoxy -7-methyl coumarin k. sambathkumar indian journal of pure and applied physics 48, 716-722, 2010 | 37* | 2010 |
Vibrational spectra, NBO, HOMO–LUMO and conformational stability studies of 4-hydroxythiobenzamide K Sambathkumar Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 147, 51-66, 2015 | 32 | 2015 |
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 elsiver, 147 (2015) 124–138, 2015 | 29 | 2015 |
Physico-chemical, structural, optical and NLO studies on pure and La3+ doped l-arginine acetate crystals A Senthamizhan, K Sambathkumar, S Nithiyanantham Materials Science for Energy Technologies 3, 282-288, 2020 | 23 | 2020 |
Synthesis, characterization and theoretical properties of coumarin NLO single crystal by DFT method K Sambathkumar, S Nithiyanantham Journal of Materials Science: Materials in Electronics 28 (9), 6529-6543, 2017 | 20 | 2017 |
Electronic Structure Investigations of 3 and 5- Diamino-1,2,4-Triazole By UV–Visible , NMR Spectral Studies and Homo-Lumo Analysis by AB Initio and DFT Calculations RMKS D.Cecily Mary Glory1 Elixir 89, 36730-36741, 2015 | 19* | 2015 |
Spectroscopic, Homo-Lumo and NLO studies of tetra fluoro phthalatedoped Coumarin crystals using DFT method KS B. Latha P. Kumaresan, S. Nithiyanantham elsiver 1142 (142 (2017) 255-260), 255-260, 2017 | 18* | 2017 |
Medicinal plant using ground state stabilization of natural antioxidant curcumin by keto-enol tautomerisation S Manimaran, K SambathKumar, R Gayathri, K Raja, N Rajkamal, ... Natural products and bioprospecting 8, 369-390, 2018 | 16 | 2018 |
HOMO-LUMO analysis of multi walled carbon nanotubes doped Tetrafluoro Phthalate crystals for nonlinear optical applications B Latha, P Kumaresan, S Nithiyanantham, K Sampathkumar Journal of Molecular Structure 1152, 351-360, 2018 | 14 | 2018 |
Density Functional Theory Studies of Vibrational Spectra K Sambathkumar Homo-Lumo, Nbo and Nlo Analysis of Some Cyclic and Heterocyclic Compounds …, 2014 | 13 | 2014 |
Analysis of vibrational Spectra of 2-Amino-5-Bromo-4-Methylpyridine Based on Ab Initio and Density Functional Theory Calculations K Sambathkumar Elixir Vib. Spec 91, 38381-38391, 2016 | 9 | 2016 |
Optical, Fluorescence with quantum analysis of hydrazine (1, 3-Dinitro Phenyl) by DFT and Ab initio approach DCM Glory, K Sambathkumar, R Madivanane, G Velmurugan, R Gayathri, ... Journal of Molecular Structure 1163, 480-495, 2018 | 5 | 2018 |
Structural, chemical and physical properties of pure and La3+ doped L-Threonine acetate crystals A Senthamizhan, K Sambathkumar, S Nithiyanantham, ... Journal of Molecular Structure 1149, 373-378, 2017 | 5 | 2017 |
FTIR, FT-RAMAN, AB INITIO and DFT studies on 2-Methoxy-6-Methyl Pyridine GR K.Sambathkumar Elixir 91, 38077-38086, 2016 | 5 | 2016 |
Growth, structural, optical, DFT, thermal and dielectric studies of N-Benzyl-3-nitroaniline (B3NA): a promising nonlinear optical crystal G Sathishkumar, K Sambathkumar, P Ramasamy, V Chithambaram, ... Journal of Materials Science: Materials in Electronics 32, 26318-26328, 2021 | 4 | 2021 |
Molecular structure and vibrational spectra of 2, 4, 6-trimethylbenzene sulphonyl chloride (FTIR & Raman) by quantum chemical calculations K Sambathkumar NISCAIR-CSIR, India, 2020 | 3 | 2020 |
Significance of HOMO and LUMO studies on dye doped glycene lithium sulphate (GLS) crystals for non-linear optical applications G Suresh, K Sahadevan, P Kumaresan Indian Journal of Pure & Applied Physics (IJPAP) 57 (3), 196-204, 2019 | 3 | 2019 |
Electrical, Optical, Structural Properties with Some Physico-Mechanical of Pure and La3+ Doped L-Alanine Acetate Single Crystals A Senthamizhan, K Sambathkumar, S Nithiyanantham, AA Alagiriswamy Sensor Letters 18 (12), 894-899, 2020 | 2 | 2020 |
RETRACTED: Enhancement of atom transfer in different surface chemistry of hydrogenated vs. fluorinated tribromobenzene on Ag (111) and Cu (111) K Sambathkumar, R Madivanane, N Rajkamal, M Venkatachalapathy Journal of Molecular Structure 1149, 112-127, 2017 | 2 | 2017 |
Enhanced photocatalytic and electrochemical performance of hydrothermally prepared NiO‐doped Co nanocomposites M Venkatachalapathy, K Sambathkumar, ME Rajasaravanan, ... Luminescence 39 (5), e4768, 2024 | 1 | 2024 |