| FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 4-N, N′-dimethylamino pyridine N Sundaraganesan, S Kalaichelvan, C Meganathan, BD Joshua, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 71 (3 …, 2008 | 174 | 2008 |
| Molecular structure and vibrational spectra of 3-chloro-4-fluoro benzonitrile by ab initio HF and density functional method N Sundaraganesan, C Meganathan, BD Joshua, P Mani, A Jayaprakash Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 71 (3 …, 2008 | 104 | 2008 |
| FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of 2, 3-difluoro phenol N Sundaraganesan, B Anand, C Meganathan, BD Joshua Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 68 (3 …, 2007 | 79 | 2007 |
| Molecular structure, spectroscopic (FTIR, FTIR gas phase, FT‐Raman) first‐order hyperpolarizability and HOMO–LUMO analysis of 4‐methoxy‐2‐methyl benzoic acid C Meganathan, S Sebastian, M Kurt, KW Lee, N Sundaraganesan Journal of Raman Spectroscopy 41 (10), 1369-1378, 2010 | 76 | 2010 |
| Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-aminobenzotrifluoride N Sundaraganesan, S Illakiamani, C Meganathan, BD Joshua Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 67 (1 …, 2007 | 61 | 2007 |
| Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 2-amino-4, 6-dimethoxypyrimidine N Sundaraganesan, KS Kumar, C Meganathan, BD Joshua Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 65 (5 …, 2006 | 60 | 2006 |
| Molecular structure and vibrational spectra of 2-amino-5-methyl pyridine and 2-amino-6-methyl pyridine by density functional methods N Sundaraganesan, C Meganathan, M Kurt Journal of Molecular Structure 891 (1-3), 284-291, 2008 | 57 | 2008 |
| FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of p-chlorobenzoic acid N Sundaraganesan, B Anand, C Meganathan, BD Joshua Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 69 (3 …, 2008 | 56 | 2008 |
| Molecular structure and vibrational spectra of indole and 5-aminoindole by density functional theory and ab initio Hartree–Fock calculations N Sundaraganesan, H Umamaheswari, BD Joshua, C Meganathan, ... Journal of Molecular Structure: THEOCHEM 850 (1-3), 84-93, 2008 | 52 | 2008 |
| Vibrational spectra and quantum chemical calculations of 3, 4-diaminobenzoic acid N Sundaraganesan, BD Joshua, C Meganathan, R Meenashi, JP Cornard Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 70 (2 …, 2008 | 43 | 2008 |
| FT-IR, FT-Raman spectra and ab initio DFT vibrational analysis of p-bromophenoxyacetic acid N Sundaraganesan, C Meganathan, B Anand, C Lapouge Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 66 (3 …, 2007 | 40 | 2007 |
| Pharmacophore modeling, virtual screening, molecular docking studies and density functional theory approaches to identify novel ketohexokinase (KHK) inhibitors R Kavitha, S Karunagaran, SS Chandrabose, KW Lee, C Meganathan Biosystems 138, 39-52, 2015 | 34 | 2015 |
| Identification of important chemical features of 11β-hydroxysteroid dehydrogenase type1 inhibitors: application of ligand based virtual screening and density functional theory S Sakkiah, C Meganathan, YS Sohn, S Namadevan, KW Lee International journal of molecular sciences 13 (4), 5138-5162, 2012 | 32 | 2012 |
| Vibrational spectroscopic studies supported by HF/DFT calculations of 2, 4, 6-triaminopyrimidine N Sundaraganesan, BD Joshua, C Meganathan, S Sebastian CSIR, 2008 | 31 | 2008 |
| Vibrational spectra and assignments of 3-aminobenzyl alcohol by ab initio Hartree–Fock and density functional method N Sundaraganesan, B Anand, C Meganathan, BD Joshua, H Saleem Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 69 (1 …, 2008 | 29 | 2008 |
| Molecular structure, vibrational spectra and HOMO, LUMO analysis of 4-piperidone by density functional theory and ab initio Hartree–Fock calculations N Sundaraganesan, G Elango, C Meganathan, B Karthikeyan, M Kurt Molecular Simulation 35 (9), 705-713, 2009 | 25 | 2009 |
| FT-IR, FT-Raman spectra and quantum chemical calculations of 3, 4-dimethoxyaniline N Sundaraganesan, M Priya, C Meganathan, BD Joshua, JP Cornard Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 70 (1 …, 2008 | 23 | 2008 |
| Vibrational spectra and assignments of 2-amino-5-iodopyridine by ab initio Hartree–Fock and density functional methods N Sundaraganesan, C Meganathan, B Anand, BD Joshua, C Lapouge Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 67 (3-4 …, 2007 | 23 | 2007 |
| FT-IR, FT-Raman spectra and quantum chemical calculations of some chloro substituted phenoxy acetic acids N Sundaraganesan, C Meganathan, B Karthikeyan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 70 (2 …, 2008 | 22 | 2008 |
| Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 5-amino-o-cresol N Sundaraganesan, C Meganathan, H Saleem, BD Joshua Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 68 (3 …, 2007 | 20 | 2007 |
