423 related articles for article (PubMed ID: 19651536)
1. A DFT study of the vibrational spectra of 1-, and 2-nitrotriphenylene.
Onchoke KK; Parks ME; Nolan AH
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(2):579-87. PubMed ID: 19651536
[TBL] [Abstract][Full Text] [Related]
2. Structure and vibrational spectra of mononitrated benzo[a]pyrenes.
Onchoke KK; Hadad CM; Dutta PK
J Phys Chem A; 2006 Jan; 110(1):76-84. PubMed ID: 16392842
[TBL] [Abstract][Full Text] [Related]
3. Investigation of the structural and harmonic vibrational properties of 2-nitro-, 4-nitro- and 5-nitro-m-xylene by ab initio and density functional theory.
Arjunan V; Balamourougane PS; Saravanan I; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(3):798-807. PubMed ID: 19716338
[TBL] [Abstract][Full Text] [Related]
4. Vibrational spectra and structure of 5,6-diamino uracil and 5,6-dihydro-5-methyl uracil by density functional theory calculations.
Krishnakumar V; Ramasamy R
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Feb; 66(2):503-11. PubMed ID: 16920007
[TBL] [Abstract][Full Text] [Related]
5. Density functional theory calculation and vibrational spectroscopy study of 2-amino-4,6-dimethyl pyrimidine (ADMP).
Thilagavathi G; Arivazhagan M
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):389-95. PubMed ID: 21524934
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. Vibrational spectroscopic studies and DFT calculations of 4-aminoantipyrine.
Swaminathan J; Ramalingam M; Sethuraman V; Sundaraganesan N; Sebastian S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug; 73(4):593-600. PubMed ID: 19386538
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. 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]
11. Comparison of experimental and density functional study on the molecular structure, infrared and Raman spectra and vibrational assignments of 6-chloronicotinic acid.
Karabacak M; Kurt M
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(3):876-83. PubMed ID: 18358772
[TBL] [Abstract][Full Text] [Related]
12. Experimental and theoretical studies on vibrational spectra of 4-(2-furanylmethyleneamino)antipyrine, 4-benzylideneaminoantipyrine and 4-cinnamilideneaminoantipyrine.
Sun YX; Hao QL; Yu ZX; Jiang WJ; Lu LD; Wang X
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 73(5):892-901. PubMed ID: 19451018
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. 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]
15. FT-IR, FT-Raman spectra and scaled quantum mechanical study of 2,3-dihydroxy pyridine and 2,4-dihyroxy-3-nitropyridine.
Krishnakumar V; Muthunatesan S
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Nov; 65(3-4):818-25. PubMed ID: 16574473
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. FTIR and Raman spectra, DFT and normal coordinate computations of 2,4,5- and 2,4,6-tri-fluoroanilines.
Mukherjee V; Singh NP; Yadav RA
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(2):249-56. PubMed ID: 19303353
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. FT-IR, FT-Raman spectra and quantum chemical calculations of some chloro substituted phenoxy acetic acids.
Sundaraganesan N; Meganathan C; Karthikeyan B
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jul; 70(2):430-8. PubMed ID: 18282793
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]
