| Density functional theory study of the FT-IR spectra of phthalimide and N-bromophthalimide V Krishnakumar, V Balachandran, T Chithambarathanu Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 62 (4-5 …, 2005 | 166 | 2005 |
| Analysis of vibrational spectra of 4-amino-2, 6-dichloropyridine and 2-chloro-3, 5-dinitropyridine based on density functional theory calculations V Krishnakumar, S Dheivamalar, RJ Xavier, V Balachandran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 65 (1 …, 2006 | 92 | 2006 |
| FT-IR and FT-Raman spectra, normal coordinate analysis and ab initio computations of Trimesic acid G Mahalakshmi, V Balachandran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 124, 535-547, 2014 | 85 | 2014 |
| Quantum chemical studies, natural bond orbital analysis and thermodynamic function of 2, 5-dichlorophenylisocyanate S Saravanan, V Balachandran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 120, 351-364, 2014 | 84 | 2014 |
| Molecular orbital studies (hardness, chemical potential, electrophilicity, and first electron excitation), vibrational investigation and theoretical NBO analysis of 2-hydroxy-5 … A Nataraj, V Balachandran, T Karthick Journal of Molecular Structure 1031, 221-233, 2013 | 82 | 2013 |
| Vanillin and isovanillin: Comparative vibrational spectroscopic studies, conformational stability and NLO properties by density functional theory calculations V Balachandran, K Parimala Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 95, 354-368, 2012 | 73 | 2012 |
| FTIR, FT-Raman, scaled quantum chemical studies of the structure and vibrational spectra of 1, 5-dinitronaphthalene M Arivazhagan, V Krishnakumar, RJ Xavier, G Ilango, V Balachandran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 72 (5 …, 2009 | 67 | 2009 |
| NBO, HOMO, LUMO analysis and vibrational spectra (FTIR and FT Raman) of 1-Amino 4-methylpiperazine using ab initio HF and DFT methods G Mahalakshmi, V Balachandran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 135, 321-334, 2015 | 66 | 2015 |
| Analysis of vibrational spectra of 5-fluoro, 5-chloro and 5-bromo-cytosines based on density functional theory calculations V Krishnakumar, V Balachandran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 61 (5 …, 2005 | 65 | 2005 |
| FT-IR, FT-Raman spectra, NBO, HOMO–LUMO and thermodynamic functions of 4-chloro-3-nitrobenzaldehyde based on ab initio HF and DFT calculations V Karunakaran, V Balachandran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 98, 229-239, 2012 | 64 | 2012 |
| FTIR and FT-Raman spectra, vibrational assignments and density functional theory calculations of 2, 6-dibromo-4-nitroaniline and 2-(methylthio) aniline V Krishnakumar, V Balachandran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 61 (8 …, 2005 | 63 | 2005 |
| Conformational stability, vibrational spectral studies, HOMO–LUMO and NBO analyses of 2-hydroxy-4-methyl-3-nitropyridine and 2-hydroxy-4-methyl-5-nitropyridine based on density … V Balachandran, A Lakshmi, A Janaki Journal of molecular structure 1013, 75-85, 2012 | 60 | 2012 |
| FT-Raman, FT-IR, UV spectra and DFT and ab initio calculations on monomeric and dimeric structures of 3, 5-pyridinedicarboxylic acid A Nataraj, V Balachandran, T Karthick, M Karabacak, A Atac Journal of molecular structure 1027, 1-14, 2012 | 58 | 2012 |
| Tautomeric purine forms of 2-amino-6-chloropurine (N9H10 and N7H10): Structures, vibrational assignments, NBO analysis, hyperpolarizability, HOMO–LUMO study using B3 based … V Balachandran, K Parimala Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 96, 340-351, 2012 | 56 | 2012 |
| Structures and vibrational frequencies of 2-hydroxy-3-methoxy-5-nitrobenzaldehyde and 2-methoxy-1-naphthaldehyde based on density functional theory calculations V Krishnakumar, V Balachandran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 63 (2 …, 2006 | 50 | 2006 |
| Theoretical investigations on molecular structure, vibrational spectra, HOMO, LUMO, NBO analysis and hyperpolarizability calculations of thiophene-2-carbohydrazide V Balachandran, A Janaki, A Nataraj Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 118, 321-330, 2014 | 49 | 2014 |
| Rotational isomers, NBO and spectral analyses of N-(2-hydroxyethyl) phthalimide based on quantum chemical calculations A Lakshmi, V Balachandran Journal of molecular structure 1033, 40-50, 2013 | 45 | 2013 |
| Vibrational spectroscopic (FTIR and FT Raman) studies, first order hyperpolarizabilities and HOMO, LUMO analysis of p-toluenesulfonyl isocyanate using ab initio HF and DFT methods K Parimala, V Balachandran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 81 (1 …, 2011 | 45 | 2011 |
| DFT computations, vibrational spectra, monomer, dimer, NBO and NMR analyses of antifungal agent: 3, 5-Dibromosalicylic acid V Balachandran, S Rajeswari, S Lalitha Journal of molecular structure 1007, 63-73, 2012 | 41 | 2012 |
| Spectroscopic investigation, vibrational assignments, Fukui functions, HOMO-LUMO, MEP and molecular docking evaluation of 4–[(3, 4–dichlorophenyl) amino] 2–methylidene 4–oxo … K Vanasundari, V Balachandran, M Kavimani, B Narayana Journal of molecular structure 1147, 136-147, 2017 | 40 | 2017 |
Prof. Dr. Badiadka NARAYANAFormer Professor, Department of Chemistry, Mangalore UniversityVerified email at mangaloreuniversity.ac.in
