417 related articles for article (PubMed ID: 16920007)
1. Vibrational spectra and structure of 5,6-diamino uracil and 5,6-dihydro-5-methyl uracil by density functional theory calculations.
Krishnakumar V; Ramasamy R
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Feb; 66(2):503-11. PubMed ID: 16920007
[TBL] [Abstract][Full Text] [Related]
2. Vibrational spectra and potential energy distributions for 4,5-dichloro-3-hydroxypyridazine by density functional theory and normal coordinate calculations.
Krishnakumar V; Ramasamy R
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Sep; 61(11-12):2526-32. PubMed ID: 16043044
[TBL] [Abstract][Full Text] [Related]
3. Structures and vibrational frequencies of 2-naphthoic acid and 6-bromo-2-naphthoic acid based on density functional theory calculations.
Krishnakumar V; Mathammal R; Muthunatesan S
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):201-9. PubMed ID: 17822949
[TBL] [Abstract][Full Text] [Related]
4. Scaled quantum chemical calculations and FTIR, FT-Raman spectral analysis of 2-Methylpyrazine.
Krishnakumar V; Prabavathi N
Spectrochim Acta A Mol Biomol Spectrosc; 2009 May; 72(4):743-7. PubMed ID: 19121975
[TBL] [Abstract][Full Text] [Related]
5. Density functional and experimental studies on the FT-IR and FT-Raman spectra and structure of 2,6-diamino purine and 6-methoxy purine.
Krishnakumar V; Ramasamy R
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jan; 69(1):8-17. PubMed ID: 17466577
[TBL] [Abstract][Full Text] [Related]
6. Density functional theory studies on tautomeric stability and infrared and Raman spectra of some purine derivatives.
Krishnakumar V; Dheivamalar S
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):823-32. PubMed ID: 17433766
[TBL] [Abstract][Full Text] [Related]
7. Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of succinimide and N-bromosuccinimide.
Krishnakumar V; Xavier RJ; Chithambarathanu T
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec; 62(4-5):931-9. PubMed ID: 15950535
[TBL] [Abstract][Full Text] [Related]
8. Analysis of vibrational spectra of 4-amino-2,6-dichloropyridine and 2-chloro-3,5-dinitropyridine based on density functional theory calculations.
Krishnakumar V; Dheivamalar S; Xavier RJ; Balachandran V
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Sep; 65(1):147-54. PubMed ID: 16330246
[TBL] [Abstract][Full Text] [Related]
9. Scaled quantum chemical studies of the structure and vibrational spectra of 2-(methylthio) benzimidazole.
Krishnakumar V; Ramasamy R
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Nov; 62(1-3):570-7. PubMed ID: 16257761
[TBL] [Abstract][Full Text] [Related]
10. Density functional theory study of vibrational spectra and assignment of fundamental vibrational modes of 1-methyl-4-piperidone.
Krishnakumar V; Keresztury G; Sundius T; Seshadri S
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):845-50. PubMed ID: 17482868
[TBL] [Abstract][Full Text] [Related]
11. The spectroscopic FT-IR gas phase, FT-IR, FT-Raman, polarizabilities analysis of Naphthoic acid by density functional methods.
Chandra S; Saleem H; Sundaraganesan N; Sebastian S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(3):704-13. PubMed ID: 19720562
[TBL] [Abstract][Full Text] [Related]
12. Structures and vibrational frequencies of 2-hydroxy-3-methoxy-5-nitrobenzaldehyde and 2-methoxy-1-naphthaldehyde based on density functional theory calculations.
Krishnakumar V; Balachandran V
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Feb; 63(2):464-76. PubMed ID: 15990355
[TBL] [Abstract][Full Text] [Related]
13. Analysis of vibrational spectra of 1-chloro-2,4-dinitrobenzene based on density functional theory calculations.
Krishnakumar V; Prabavathi N
Spectrochim Acta A Mol Biomol Spectrosc; 2009 May; 72(4):738-42. PubMed ID: 19124269
[TBL] [Abstract][Full Text] [Related]
14. Simulation of IR and Raman spectra of p-hydroxyanisole and p-nitroanisole based on scaled DFT force fields and their vibrational assignments.
Krishnakumar V; Prabavathi N
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):154-61. PubMed ID: 19523872
[TBL] [Abstract][Full Text] [Related]
15. Density functional study and the vibrational spectra of 4-chloro-5-fluoro-1,2-phenylenediamine.
Krishnakumar V; Muthunatesan S
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jan; 61(1-2):199-204. PubMed ID: 15556440
[TBL] [Abstract][Full Text] [Related]
16. Structure and vibrational frequencies of 1-naphthaldehyde based on density functional theory calculations.
Krishnakumar V; Prabavathi N; Muthunatesan S
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Feb; 69(2):528-33. PubMed ID: 17553736
[TBL] [Abstract][Full Text] [Related]
17. Density functional theory study on the structure and vibrational spectra for cyanuric chloride.
Krishnakumar V; Ramasamy R
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Oct; 61(13-14):3112-6. PubMed ID: 16165061
[TBL] [Abstract][Full Text] [Related]
18. Molecular and vibrational structure of 2-mercapto pyrimidine and 2,4-diamino-6-hydroxy-5-nitroso pyrimidine: FT-IR, FT-Raman and quantum chemical calculations.
Krishnakumar V; John Xavier R
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Feb; 63(2):454-63. PubMed ID: 15990356
[TBL] [Abstract][Full Text] [Related]
19. FT-IR and Raman spectra vibrational assignments and density functional calculations of 1-naphthyl acetic acid.
Krishnakumar V; Mathammal R; Muthunatesan S
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):210-6. PubMed ID: 17804282
[TBL] [Abstract][Full Text] [Related]
20. DFT studies, vibrational spectra and conformational stability of 4-hydroxy-3-methylacetophenone and 4-hydroxy-3-methoxyacetophenone.
Krishnakumar V; Balachandran V
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Sep; 61(11-12):2510-25. PubMed ID: 16043043
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]