377 related articles for article (PubMed ID: 20869295)
1. Vibrational spectroscopic analysis of 2-chlorotoluene and 2-bromotoluene: a combined experimental and theoretical study.
Govindarajan M; Ganasan K; Periandy S; Karabacak M; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Dec; 77(5):1005-13. PubMed ID: 20869295
[TBL] [Abstract][Full Text] [Related]
2. DFT (LSDA, B3LYP and B3PW91) comparative vibrational spectroscopic analysis of alpha-acetonaphthone.
Govindarajan M; Ganasan K; Periandy S; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jun; 76(1):12-21. PubMed ID: 20308014
[TBL] [Abstract][Full Text] [Related]
3. FT-IR and FT-Raman spectra, thermo dynamical behavior, HOMO and LUMO, UV, NLO properties, computed frequency estimation analysis and electronic structure calculations on α-bromotoluene.
Govindarajan M; Periandy S; Carthigayen K
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():411-22. PubMed ID: 22820044
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. FT-IR, FT-Raman and UV spectral investigation: computed frequency estimation analysis and electronic structure calculations on chlorobenzene using HF and DFT.
Govindarajan M; Karabacak M; Udayakumar V; Periandy S
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Mar; 88():37-48. PubMed ID: 22197345
[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. Molecular structure and vibrational spectra of o-chlorotoluene, m-chlorotoluene, and p-chlorotoluene by ab initio HF and DFT calculations.
Wang J; Ren M; Wang S; Qu Y
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Mar; 78(3):1126-32. PubMed ID: 21227744
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. 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]
10. FTIR and FT Raman, molecular geometry, vibrational assignments, ab initio and density functional theory calculations for 1,5-methylnaphthalene.
Nagabalasubramanian PB; Periandy S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Dec; 77(5):1099-107. PubMed ID: 20933463
[TBL] [Abstract][Full Text] [Related]
11. FTIR and FT Raman spectra, vibrational assignments, ab initio, DFT and normal coordinate analysis of alpha,alpha dichlorotoluene.
Nagabalasubramanian PB; Periandy S; Mohan S; Govindarajan M
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(2):277-80. PubMed ID: 19345137
[TBL] [Abstract][Full Text] [Related]
12. Vibrational spectroscopic analysis of 2-bromobenzoic and anthranilic acids: a combined experimental and theoretical study.
Govindarajan M; Ganasan K; Periandy S; Mohan S; Tedlamelekot F
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):2003-11. PubMed ID: 21703917
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. Scaled quantum chemical studies on the vibrational spectra of 4-bromo benzonitrile.
Krishnakumar V; Surumbarkuzhali N; Muthunatesan S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jan; 71(5):1810-3. PubMed ID: 18715825
[TBL] [Abstract][Full Text] [Related]
15. Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP) calculations on the structure of 3-Bromo phenol.
Mahadevan D; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):575-81. PubMed ID: 21185772
[TBL] [Abstract][Full Text] [Related]
16. Vibrational spectroscopy investigation and HOMO, LUMO analysis using DFT (B3LYP) on the structure of 1,3-dichloro 5-nitrobenzene.
Gayathri R; Arivazhagan M
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct; 81(1):242-50. PubMed ID: 21767978
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of alpha-chlorotoluene.
Nagabalasubramanian PB; Periandy S; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 77(1):150-9. PubMed ID: 20537941
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. 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]
[Next] [New Search]
