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
235 2004 Normal coordinate analysis of 2-mercapto and 4, 6-dihydroxy-2-mercapto pyrimidines V Krishnakumar, RJ Xavier
NISCAIR-CSIR, India, 2003
207 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
192 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
165 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 81 (16), 165207, 2010
148 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
136 2011 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 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
112 2008 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
109 2005 Normal coordinate analysis of vibrational spectra of 2-methylindoline and 5-hydroxyindane V Krishnakumar, RJ Xavier
NISCAIR-CSIR, India, 2003
109 2003 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
99 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
89 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
87 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
84 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
78 2008 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
70 2007 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
68 2016 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 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
64 2005