818 related articles for article (PubMed ID: 16165042)
21. 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]
22. DFT simulations and vibrational analysis of FT-IR and FT-Raman spectra of 2,4-diamino-6-hydroxypyrimidine.
Subramanian MK; Anbarasan PM; Manimegalai S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug; 73(4):642-9. PubMed ID: 19406685
[TBL] [Abstract][Full Text] [Related]
23. FT-IR and FT-Raman vibrational spectra and molecular structure investigation of nicotinamide: A combined experimental and theoretical study.
Ramalingam S; Periandy S; Govindarajan M; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 May; 75(5):1552-8. PubMed ID: 20227335
[TBL] [Abstract][Full Text] [Related]
24. FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2-amino-5-chloropyridine.
Sundaraganesan N; Ilakiamani S; Anand B; Saleem H; Joshua BD
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jun; 64(3):586-94. PubMed ID: 16387534
[TBL] [Abstract][Full Text] [Related]
25. 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]
26. Quantum chemical studies of FT-IR and Raman spectra of methyl 2,5-dichlorobenzoate.
Xuan X; Zhai C
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1663-8. PubMed ID: 21664860
[TBL] [Abstract][Full Text] [Related]
27. 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]
28. 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]
29. 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]
30. 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]
31. Molecular structure, IR spectra of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by density functional theory and ab initio Hartree-Fock calculations.
Li XH; Tang ZX; Zhang XZ
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):168-73. PubMed ID: 19553157
[TBL] [Abstract][Full Text] [Related]
32. Anharmonic vibrational analysis of 3,4-diaminopyridine and 3-aminopyridine by density functional theory calculations.
Karpagam J; Sundaraganesan N; Kalaichelvan S; Sebastian S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 76(5):502-12. PubMed ID: 20483656
[TBL] [Abstract][Full Text] [Related]
33. 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]
34. The spectroscopic (FTIR, FT-IR gas phase and FT-Raman), first order hyperpolarizabilities, NMR analysis of 2,4-dichloroaniline by ab initio HF and density functional methods.
Sundaraganesan N; Karpagam J; Sebastian S; Cornard JP
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(1):11-9. PubMed ID: 19251476
[TBL] [Abstract][Full Text] [Related]
35. Experimental (FT-IR and FT-Raman) and theoretical (HF and DFT) investigation, IR intensity, Raman activity and frequency estimation analyses on 1-bromo-4-chlorobenzene.
Udayakumar V; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):920-7. PubMed ID: 21550298
[TBL] [Abstract][Full Text] [Related]
36. Molecular structure and vibrational spectra of 3-amino-5-hydroxypyrazole by density functional method.
Swaminathan J; Ramalingam M; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jan; 71(5):1776-82. PubMed ID: 18760957
[TBL] [Abstract][Full Text] [Related]
37. Vibrational spectroscopic study and NBO analysis on bis(4-amino-5-mercapto-1,2,4-triazol-3-yl) methane using DFT method.
Subashchandrabose S; Krishnan AR; Saleem H; Parameswari R; Sundaraganesan N; Thanikachalam V; Manikandan G
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Nov; 77(4):877-84. PubMed ID: 20832355
[TBL] [Abstract][Full Text] [Related]
38. FT-Raman and FTIR spectra, assignments and ab initio calculations of 2-aminobenzyl alcohol.
Sundaraganesan N; Saleem H; Mohan S; Ramalingam M
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jan; 61(3):377-85. PubMed ID: 15582804
[TBL] [Abstract][Full Text] [Related]
39. FT-IR, FT-Raman, ab initio and DFT structural and vibrational frequency analysis of 6-aminopenicillanic acid.
Swaminathan J; Ramalingam M; Sethuraman V; Sundaraganesan N; Sebastian S; Kurt M
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jan; 75(1):183-90. PubMed ID: 19897407
[TBL] [Abstract][Full Text] [Related]
40. 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]
[Previous] [Next] [New Search]
