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Prabavathi N
Prabavathi N
Sri sarada college for women(Autanomous),India,Tamilnadu. salem
在 srisaradacollege.onmicrosoft.com 的电子邮件经过验证
标题
引用次数
引用次数
年份
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
1132008
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
712007
FT-IR, FT-Raman and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 1-(m-(trifluoromethyl) phenyl) piperazine
N Prabavathi, A Nilufer, V Krishnakumar
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 121, 483-493, 2014
602014
Analysis of vibrational spectra of 1-chloro-2, 4-dinitrobenzene based on density functional theory calculations
V Krishnakumar, N Prabavathi
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 72 (4 …, 2009
502009
Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of 1-bromo 4-fluoronaphthalene
V Krishnakumar, N Prabavathi, S Muthunatesan
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 70 (5 …, 2008
462008
Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation, conformational stability, NLO properties, HOMO–LUMO and NBO analysis of hydroxyquinoline derivatives by density …
N Prabavathi, A Nilufer, V Krishnakumar
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 114, 449-474, 2013
422013
Structure and vibrational frequencies of 1-naphthaldehyde based on density functional theory calculations
V Krishnakumar, N Prabavathi, S Muthunatesan
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 69 (2 …, 2008
392008
Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin
N Prabavathi, A Nilufer, V Krishnakumar
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 114, 101-113, 2013
382013
Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), NBO and HOMO–LUMO analysis of 2-quinoxaline carboxylic acid
N Prabavathi, A Nilufer, V Krishnakumar
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 92, 325-335, 2012
342012
Spectroscopic investigation (FT-IR, FT-Raman, NMR and UV-Vis), conformational stability, NBO and thermodynamic analysis of 1-(2-methoxyphenyl) piperazine and 1-(2-chlorophenyl …
N Prabavathi, N Senthil Nayaki, V Krishnakumar
Pharm. Anal. Acta 6 (2), 2015
312015
Experimental (FTIR and FT-Raman) and theoretical investigation of some pyridine-dicarboxylic acids
JL Naik, BV Reddy, N Prabavathi
Journal of molecular structure 1100, 43-58, 2015
262015
The spectroscopic (FT-IR, FT-Raman and NMR), first order hyperpolarizability and HOMO–LUMO analysis of 2-mercapto-4 (3H)-quinazolinone
N Prabavathi, NS Nayaki
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 129, 572-583, 2014
242014
Spectroscopic, electronic structure and natural bond analysis of 2-aminopyrimidine and 4-aminopyrazolo [3, 4-d] pyrimidine: A comparative study
N Prabavathi, A Nilufer, V Krishnakumar, L Akilandeswari
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 96, 226-241, 2012
242012
Molecular structure, spectroscopic studies (FTIR, FT-Raman and NMR) and HOMO–LUMO analysis of 6-chloro-o-cresol and 4-chloro-3-methyl phenol by density functional theoretical study
V Krishnakumar, M Kumar, N Prabavathi, R Mathammal
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 97, 144-154, 2012
222012
Molecular structure, vibrational, UV, NMR, hyperpolarizability, NBO and HOMO–LUMO analysis of Pteridine2, 4-dione
N Prabavathi, A Nilufer, V Krishnakumar
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 99, 292-302, 2012
212012
Structure and vibrational frequencies of 6, 7-dimethoxy-1, 4-dihydro-1, 3-quinoxalinedione based on density functional theory calculations: The role of π-electron conjugation …
V Krishnakumar, N Prabavathi
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 77 (1 …, 2010
192010
Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 2-chloro-4-nitrotoluene and 4-chloro-2-nitrotoluene
V Krishnakumar, K Murugeswari, N Prabavathi, R Mathammal
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 91, 1-10, 2012
182012
Molecular structure, vibrational spectra, natural bond orbital and thermodynamic analysis of 3, 6-dichloro-4-methylpyridazine and 3, 6-dichloropyridazine-4-carboxylic acid by …
N Prabavathi, NS Nayaki, BV Reddy
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136 …, 2015
152015
Density functional theory calculations and vibrational spectra of 6-methyl 1, 2, 3, 4-tetrahyroquinoline
V Krishnakumar, N Prabavathi, S Muthunatesan
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 69 (3 …, 2008
152008
Simulation of IR and Raman spectra of p-hydroxyanisole and p-nitroanisole based on scaled DFT force fields and their vibrational assignments
V Krishnakumar, N Prabavathi
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 74 (1 …, 2009
142009
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