341 related articles for article (PubMed ID: 22343112)
1. 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]
2. FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene.
Govindarajan M; Karabacak M; Suvitha A; Periandy S
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Apr; 89():137-48. PubMed ID: 22261102
[TBL] [Abstract][Full Text] [Related]
3. Density functional theory, comparative vibrational spectroscopic studies, HOMO-LUMO, first hyperpolarizability analyses of 2-fluoro 5-nitrotoluene and 2-bromo 5-nitrotoluene.
Krishnakumar V; Sangeetha R; Mathammal R; Barathi D
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():77-86. PubMed ID: 23266679
[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. 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]
6. Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 2,3,4,5,6-penta bromo toluene and bromo durene based on density functional calculations.
Krishna Kumar V; Suganya S; Mathammal R
Spectrochim Acta A Mol Biomol Spectrosc; 2014 May; 125():201-10. PubMed ID: 24556128
[TBL] [Abstract][Full Text] [Related]
7. 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.
Krishnakumar V; Kumar M; Prabavathi N; Mathammal R
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():144-54. PubMed ID: 22750683
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. FT-IR and FT-Raman spectra and vibrational investigation of 4-chloro-2-fluoro toluene using ab initio HF and DFT (B3LYP/B3PW91) calculations.
Ramalingam S; Periandy S; Elanchezhian B; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):429-36. PubMed ID: 21146451
[TBL] [Abstract][Full Text] [Related]
10. Vibrational study, first hyperpolarizability and HOMO-LUMO analyses on the structure of 2-hydroxy-6-nitro toluene.
Arivazhagan M; Thilagavathi G
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():411-8. PubMed ID: 22402481
[TBL] [Abstract][Full Text] [Related]
11. FTIR and FTRaman spectra, assignments, ab initio HF and DFT analysis of 4-nitrotoluene.
Ramalingam S; Periandy S; Govindarajan M; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Apr; 75(4):1308-14. PubMed ID: 20133182
[TBL] [Abstract][Full Text] [Related]
12. Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene.
Arunagiri C; Arivazhagan M; Subashini A
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1747-56. PubMed ID: 21680229
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. FTIR, FT-Raman and NMR studies on 2,6-dichlorotoluene and 2-chloro-6-fluorotoluene based on density functional theory.
Krishnakumar V; Mangaiarkkarasi K; Mathammal R; Prabavathi N; Surumbarkuzhali N
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Aug; 112():429-39. PubMed ID: 23728077
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Experimental (FT-IR and FT-Raman), electronic structure and DFT studies on 1-methoxynaphthalene.
Govindarajan M; Ganasan K; Periandy S; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):646-53. PubMed ID: 21530378
[TBL] [Abstract][Full Text] [Related]
17. DFT, FT-Raman, FT-IR, HOMO-LUMO and NBO studies of 4-Methylmorpholine.
Balachandran V; Mahalakshmi G; Lakshmi A; Janaki A
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():1101-10. PubMed ID: 22929905
[TBL] [Abstract][Full Text] [Related]
18. Molecular structure and vibrational spectra of 3-and 4-amino-2-bromopyridine by density functional methods.
Kandasamy M; Velraj G
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():206-16. PubMed ID: 22381792
[TBL] [Abstract][Full Text] [Related]
19. FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of butylated hydroxy toluene.
Babu PC; Sundaraganesan N; Dereli Ö; Türkkan E
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):562-9. PubMed ID: 21501967
[TBL] [Abstract][Full Text] [Related]
20. Theoretical investigations of α,α,α-trifluoro-3, -p and o-nitrotoluene by means of density functional theory.
Yildirim G; Senol SD; Dogruer M; Ozturk O; Senol A; Tasci AT; Terzioglu C
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan; 85(1):271-82. PubMed ID: 22036315
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]