637 related articles for article (PubMed ID: 19716338)
1. 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]
2. 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]
3. 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]
4. FTIR, FT-Raman, ab initio and density functional studies on 4-methyl-1,3-dioxolan-2-one and 4,5-dichloro-1,3-dioxolan-2-one.
Arjunan V; Saravanan I; Ravindran P; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 77(1):28-35. PubMed ID: 20605517
[TBL] [Abstract][Full Text] [Related]
5. DFT and ab initio quantum chemical studies on p-cyanobenzoic acid.
Arjunan V; Rani T; Varalakshmy L; Mohan S; Tedlamelekot F
Spectrochim Acta A Mol Biomol Spectrosc; 2011 May; 78(5):1449-54. PubMed ID: 21349760
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Structural, vibrational and DFT studies on 2-chloro-1H-isoindole-1,3(2H)-dione and 2-methyl-1H-isoindole-1,3(2H)-dione.
Arjunan V; Saravanan I; Ravindran P; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(3):642-9. PubMed ID: 19660980
[TBL] [Abstract][Full Text] [Related]
8. A comparative study on vibrational, conformational and electronic structure of α,α'-diol-o-xylene, α,α'-diol-m-xylene and α,α'-diol-p-xylene.
Arjunan V; Saravanan I; Mythili CV; Kalaivani M; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():1-15. PubMed ID: 22402573
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Vibrational, conformational and electronic structure investigations of α,α'-dibromo-o-xylene, α,α'-dibromo-m-xylene and α,α'-dibromo-p-xylene.
Arjunan V; Saravanan I; Mythili CV; Balakrishnan K; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():166-77. PubMed ID: 22381787
[TBL] [Abstract][Full Text] [Related]
11. Quantum chemical and spectroscopic investigations of 5-aminoquinoline.
Arjunan V; Mohan S; Balamourougane PS; Ravindran P
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1215-23. PubMed ID: 19854675
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. 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]
14. Vibrational spectroscopy investigation using ab initio and density functional theory on p-anisaldehyde.
Gunasekaran S; Seshadri S; Muthu S; Kumaresan S; Arunbalaji R
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Aug; 70(3):550-6. PubMed ID: 17870655
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. FTIR, FT-Raman spectra and ab initio, DFT vibrational analysis of 2,4-dinitrophenylhydrazine.
Sundaraganesan N; Ayyappan S; Umamaheswari H; Joshua BD
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jan; 66(1):17-27. PubMed ID: 16815087
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Molecular structure and vibrational analysis of 3-Ethylpyridine using ab initio HF and density functional theory (B3LYP) calculations.
Shakila G; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):732-9. PubMed ID: 21183400
[TBL] [Abstract][Full Text] [Related]
19. FT-IR and FT-Raman investigation, computed vibrational intensity analysis and computed vibrational frequency analysis on m-Xylol using ab-initio HF and DFT calculations.
Prabhu T; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):948-55. PubMed ID: 21550300
[TBL] [Abstract][Full Text] [Related]
20. FTIR and FT-Raman spectra, assignments, ab initio HF and DFT analysis of xanthine.
Arivazhagan M; Jeyavijayan S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jun; 79(1):161-8. PubMed ID: 21450515
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
