325 related articles for article (PubMed ID: 15863051)
1. Vibrational analysis of 1,4-diaminoanthraquinone and 1,5-dichloroanthraquinone. A joint FTIR, FT-Raman and scaled quantum mechanical study.
Krishnakumar V; Xavier RJ
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jun; 61(8):1799-809. PubMed ID: 15863051
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. 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]
5. 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]
6. 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]
7. 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]
8. Vibrational analysis of 4-amino pyrazolo (3,4-d) pyrimidine A joint FTIR, Laser Raman and scaled quantum mechanical studies.
Arivazhagan M; Senthil kumar J
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):228-34. PubMed ID: 21824808
[TBL] [Abstract][Full Text] [Related]
9. DFT simulations and vibrational analysis of FTIR and FT-Raman spectra of 2-amino-4-methyl benzonitrile.
Dheivamalar S; Silambarasan V
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():480-4. PubMed ID: 22728284
[TBL] [Abstract][Full Text] [Related]
10. Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 2-chloro-4-nitrotoluene and 4-chloro-2-nitrotoluene.
Krishnakumar V; Murugeswari K; Prabavathi N; Mathammal R
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():1-10. PubMed ID: 22343112
[TBL] [Abstract][Full Text] [Related]
11. A scaled quantum mechanical approach of vibrational analysis of o-tolunitrile based on FTIR and FT Raman spectra, ab initio, Hartree Fock and DFT methods.
Nagabalasubramanian PB; Periandy S; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1280-7. PubMed ID: 19875327
[TBL] [Abstract][Full Text] [Related]
12. Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods.
Muthu S; Ramachandran G
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():394-403. PubMed ID: 24280302
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. FTIR, FT-Raman, scaled quantum chemical studies of the structure and vibrational spectra of 1,5-dinitronaphthalene.
Arivazhagan M; Krishnakumar V; Xavier RJ; Ilango G; Balachandran V
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jun; 72(5):941-6. PubMed ID: 19196545
[TBL] [Abstract][Full Text] [Related]
15. FTIR and FT-Raman spectra, vibrational assignments and density functional theory calculations of 2,6-dibromo-4-nitroaniline and 2-(methylthio)aniline.
Krishnakumar V; Balachandran V
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jun; 61(8):1811-9. PubMed ID: 15863052
[TBL] [Abstract][Full Text] [Related]
16. DFT studies and vibrational spectra of isoquinoline and 8-hydroxyquinoline.
Krishnakumar V; Ramasamy R
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Feb; 61(4):673-83. PubMed ID: 15649800
[TBL] [Abstract][Full Text] [Related]
17. Quantum mechanical study of the structure and spectroscopic (FTIR, FT-Raman), first-order hyperpolarizability and NBO analysis of 1,2-benzoxazol-3-ylmenthane sulfonamide.
Muthu S; Ramachandran G; Isac Paulraj E; Swaminathan T
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul; 128():603-13. PubMed ID: 24691375
[TBL] [Abstract][Full Text] [Related]
18. Hydrogen bonding and molecular vibrations of 3,5-diamino-1,2,4-triazole.
Kumar VK; Keresztury G; Sundius T; Xavier RJ
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jan; 61(1-2):261-7. PubMed ID: 15556448
[TBL] [Abstract][Full Text] [Related]
19. Vibrational spectroscopic, electronic and quantum chemical investigations on 2,3-hexadiene.
Jayaprakash A; Arjunan V; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct; 81(1):620-30. PubMed ID: 21763179
[TBL] [Abstract][Full Text] [Related]
20. FTIR and FT-Raman spectra, assignments, ab initio HF and DFT analysis of xanthine.
Arivazhagan M; Jeyavijayan S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jun; 79(1):161-8. PubMed ID: 21450515
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]