1102 related articles for article (PubMed ID: 17804282)
1. 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]
2. Molecular and vibrational structure of 2-mercapto pyrimidine and 2,4-diamino-6-hydroxy-5-nitroso pyrimidine: FT-IR, FT-Raman and quantum chemical calculations.
Krishnakumar V; John Xavier R
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Feb; 63(2):454-63. PubMed ID: 15990356
[TBL] [Abstract][Full Text] [Related]
3. 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]
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. FT-IR, FT-Raman, ab initio and DFT structural, vibrational frequency and HOMO-LUMO analysis of 1-naphthaleneacetic acid methyl ester.
Nagabalasubramanian PB; Karabacak M; Periandy S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):169-80. PubMed ID: 21820351
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. 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]
9. Simulation of IR and Raman spectral based on scaled DFT force fields: a case study of 2-amino 4-hydroxy 6-trifluoromethylpyrimidine, with emphasis on band assignment.
Krishnakumar V; Prabavathi N
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(2):449-57. PubMed ID: 18282798
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations.
Subramanian MK; Anbarasan PM; Ilangovan V; Babu SM
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):59-67. PubMed ID: 18178129
[TBL] [Abstract][Full Text] [Related]
12. FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: a combined experimental and theoretical study.
Karabacak M; Karagöz D; Kurt M
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jun; 72(5):1076-83. PubMed ID: 19213598
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. 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]
15. 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]
16. 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]
17. Revised vibrational band assignments for the experimental IR and Raman spectra of 2,3,4-trifluorobenzonitrile based on ab initio, DFT and normal coordinate calculations.
Hiremath CS; Kalkoti GB; Aralakkanavar MK
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):200-4. PubMed ID: 19560961
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. 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]
20. Vibrational spectroscopic investigations, ab initio and DFT studies on 7-bromo-5-chloro-8-hydroxyquinoline.
Arjunan V; Mohan S; Ravindran P; Mythili CV
Spectrochim Acta A Mol Biomol Spectrosc; 2009 May; 72(4):783-8. PubMed ID: 19112045
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]