| Simulation of IR and Raman spectra based on scaled DFT force fields: a case study of 2-(methylthio) benzonitrile, with emphasis on band assignment V Krishnakumar, G Keresztury, T Sundius, R Ramasamy Journal of Molecular Structure 702 (1-3), 9-21, 2004 | 242 | 2004 |
| Normal coordinate analysis of 2-mercapto and 4, 6-dihydroxy-2-mercapto pyrimidines V Krishnakumar, RJ Xavier NISCAIR-CSIR, India, 2003 | 210 | 2003 |
| FT Raman and FT–IR spectral studies of 3-mercapto-1, 2, 4-triazole V Krishnakumar, RJ Xavier Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 60 (3 …, 2004 | 197 | 2004 |
| 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 | 169 | 2005 |
| Electronic structure of and Sn-doped by hard x-ray photoemission spectroscopy C Körber, V Krishnakumar, A Klein, G Panaccione, P Torelli, A Walsh, ... Physical Review B—Condensed Matter and Materials Physics 81 (16), 165207, 2010 | 152 | 2010 |
| Optimized chemical bath deposited CdS layers for the improvement of CdTe solar cells J Han, C Spanheimer, G Haindl, G Fu, V Krishnakumar, J Schaffner, ... Solar Energy Materials and Solar Cells 95 (3), 816-820, 2011 | 139 | 2011 |
| Simulation of IR and Raman spectral based on scaled DFT force fields: a case study of 2-amino 4-hydroxy 6-trifluoromethylpyrimidine, with emphasis on band assignment V Krishnakumar, N Prabavathi Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 71 (2 …, 2008 | 132 | 2008 |
| Density functional theory calculations and vibrational spectra of 3, 5-dibromopyridine and 3, 5-dichloro-2, 4, 6-trifluoropyridine V Krishnakumar, RJ Xavier Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 61 (1-2 …, 2005 | 127 | 2005 |
| Normal coordinate analysis of vibrational spectra of 2-methylindoline and 5-hydroxyindane V Krishnakumar, RJ Xavier NISCAIR-CSIR, India, 2003 | 113 | 2003 |
| Crystal growth and vibrational spectroscopic studies of the semiorganic non-linear optical crystal—bisthiourea zinc chloride V Krishnakumar, R Nagalakshmi Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 61 (3 …, 2005 | 111 | 2005 |
| Effect of indium doping in CdO thin films prepared by spray pyrolysis technique R Kumaravel, K Ramamurthi, V Krishnakumar Journal of Physics and Chemistry of Solids 71 (11), 1545-1549, 2010 | 102 | 2010 |
| 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 | 91 | 2006 |
| Scaled quantum chemical studies on the vibrational spectra of 4-bromo benzonitrile V Krishnakumar, N Surumbarkuzhali, S Muthunatesan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 71 (5 …, 2009 | 90 | 2009 |
| DFT studies and vibrational spectra of isoquinoline and 8-hydroxyquinoline V Krishnakumar, R Ramasamy Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 61 (4 …, 2005 | 89 | 2005 |
| Growth and characterization of hydroxyethylammonium picrate single crystals for third-order nonlinear optical applications N Sudharsana, B Keerthana, R Nagalakshmi, V Krishnakumar, LG Prasad Materials Chemistry and Physics 134 (2-3), 736-746, 2012 | 86 | 2012 |
| Studies on the first-order hyperpolarizability and terahertz generation in 3-nitroaniline V Krishnakumar, R Nagalakshmi Physica B: Condensed Matter 403 (10-11), 1863-1869, 2008 | 80 | 2008 |
| Effect of Cu doping on TiO2 nanoparticles and its photocatalytic activity under visible light V Krishnakumar, S Boobas, J Jayaprakash, M Rajaboopathi, B Han, ... Journal of Materials Science: Materials in Electronics 27, 7438-7447, 2016 | 74 | 2016 |
| Scaled quantum chemical calculations and FT-IR, FT-Raman spectral analysis of 2-methyl piperazine V Krishnakumar, S Seshadri Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 68 (3 …, 2007 | 72 | 2007 |
| 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 | 68 | 2005 |
| Scaled quantum chemical studies of the structure and vibrational spectra of 2-(methylthio) benzimidazole V Krishnakumar, R Ramasamy Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 62 (1-3 …, 2005 | 67 | 2005 |
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