454 related articles for article (PubMed ID: 20933461)
21. Spectroscopic (FTIR and FT Raman) analysis and vibrational study on 2,3-dimethyl naphthalene using ab-initio HF and DFT calculations.
Prabhu T; Periandy S; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):566-74. PubMed ID: 21185771
[TBL] [Abstract][Full Text] [Related]
22. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.
Krishnan AR; Saleem H; Subashchandrabose S; Sundaraganesan N; Sebastain S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):582-9. PubMed ID: 21190895
[TBL] [Abstract][Full Text] [Related]
23. Synthesis, FTIR, FT-Raman, UV-visible, ab initio and DFT studies on benzohydrazide.
Arjunan V; Rani T; Mythili CV; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):486-96. PubMed ID: 21531171
[TBL] [Abstract][Full Text] [Related]
24. Fourier transform infrared and FT-Raman spectra, assignment, ab initio, DFT and normal co-ordinate analysis of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline.
Arjunan V; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Mar; 72(2):436-44. PubMed ID: 19081287
[TBL] [Abstract][Full Text] [Related]
25. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
Sebastian S; Sundaraganesan N; Karthikeiyan B; Srinivasan V
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):590-600. PubMed ID: 21195659
[TBL] [Abstract][Full Text] [Related]
26. FT-Raman and infrared spectra and vibrational assignments for 3-chloro-4-methoxybenzaldehyde, as supported by ab initio, hybrid density functional theory and normal coordinate calculations.
Hiremath CS; Yenagi J; Tonannavar J
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):710-7. PubMed ID: 17418630
[TBL] [Abstract][Full Text] [Related]
27. 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]
28. FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2,4-dichloro-6-nitrophenol.
Sundaraganesan N; Anand B; Dominic Joshua B
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Dec; 65(5):1053-62. PubMed ID: 16716652
[TBL] [Abstract][Full Text] [Related]
29. 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]
30. Density functional theory studies on vibrational and electronic spectra of 2-chloro-6-methoxypyridine.
Arjunan V; Isaac AS; Rani T; Mythili CV; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 May; 78(5):1625-32. PubMed ID: 21382743
[TBL] [Abstract][Full Text] [Related]
31. Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of ferulic acid by density functional study.
Sebastian S; Sundaraganesan N; Manoharan S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(2):312-23. PubMed ID: 19581124
[TBL] [Abstract][Full Text] [Related]
32. FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of p-chlorobenzoic acid.
Sundaraganesan N; Anand B; Meganathan C; Joshua BD
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Mar; 69(3):871-9. PubMed ID: 17658292
[TBL] [Abstract][Full Text] [Related]
33. Vibrational investigation on FT-IR and FT-Raman spectra, IR intensity, Raman activity, peak resemblance, ideal estimation, standard deviation of computed frequencies analyses and electronic structure on 3-methyl-1,2-butadiene using HF and DFT (LSDA/B3LYP/B3PW91) calculations.
Ramalingam S; Jayaprakash A; Mohan S; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):79-90. PubMed ID: 21813316
[TBL] [Abstract][Full Text] [Related]
34. Molecular structure, vibrational, UV and NBO analysis of 4-chloro-7-nitrobenzofurazan by DFT calculations.
Kurt M; Babu PC; Sundaraganesan N; Cinar M; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1162-70. PubMed ID: 21571581
[TBL] [Abstract][Full Text] [Related]
35. FTIR and Raman spectra and SQM force field calculation for vibrational analysis of 2,3,4- and 2,3,6-tri-fluoro-anilines.
Mukherjee V; Singh K; Singh NP; Yadav RA
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(1):44-53. PubMed ID: 19264537
[TBL] [Abstract][Full Text] [Related]
36. 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]
37. FT-IR, FT-Raman, NMR spectra and DFT calculations on 4-chloro-N-methylaniline.
Rani AU; Sundaraganesan N; Kurt M; Cinar M; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2010 May; 75(5):1523-9. PubMed ID: 20299282
[TBL] [Abstract][Full Text] [Related]
38. 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]
39. FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine.
Sundaraganesan N; Ilakiamani S; Saleem H; Wojciechowski PM; Michalska D
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Oct; 61(13-14):2995-3001. PubMed ID: 16165042
[TBL] [Abstract][Full Text] [Related]
40. Analysis of vibrational spectra of L-alanylglycine based on density functional theory calculations.
Padmaja L; Ravikumar C; James C; Jayakumar VS; Hubert Joe I
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):252-62. PubMed ID: 18243781
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]