145 related articles for article (PubMed ID: 16126321)
1. Ab initio studies on the tri- and diphosphate fragments of adenosine triphosphate.
Hansia P; Guruprasad N; Vishveshwara S
Biophys Chem; 2006 Jan; 119(2):127-36. PubMed ID: 16126321
[TBL] [Abstract][Full Text] [Related]
2. FTIR and Ab initio investigations of the MTBE-water complex.
Li Z; Singh S
J Phys Chem A; 2008 Sep; 112(37):8593-9. PubMed ID: 18714958
[TBL] [Abstract][Full Text] [Related]
3. FT-IR, FT-Raman spectra and quantum chemical calculations of 3,4-dimethoxyaniline.
Sundaraganesan N; Priya M; Meganathan C; Joshua BD; Cornard JP
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):50-9. PubMed ID: 17765601
[TBL] [Abstract][Full Text] [Related]
4. Quantum chemical determination of molecular geometries and interpretation of FTIR and Raman spectra for 2,4,5- and 3,4,5-tri-fluoro-benzonitriles.
Mukherjee V; Singh K; Singh NP; Yadav RA
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(4):1571-80. PubMed ID: 18693066
[TBL] [Abstract][Full Text] [Related]
5. Hydration of inorganic phosphates in crystal lattices and in aqueous solution. An experimental and theoretical study.
Brandán SA; Díaz SB; Picot RC; Disalvo EA; Altabef AB
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr; 66(4-5):1152-64. PubMed ID: 16843715
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Where is electronic energy stored in adenosine triphosphate?
Arabi AA; Matta CF
J Phys Chem A; 2009 Apr; 113(14):3360-8. PubMed ID: 19281210
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Molecular structure and vibrational and chemical shift assignments of 3-(2-hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-(4H)-thione by DFT and ab initio HF calculations.
Avci D; Atalay Y; Sekerci M; Dinçer M
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(1):212-7. PubMed ID: 19264542
[TBL] [Abstract][Full Text] [Related]
10. Fourier transform-infrared and Raman spectra, ab initio calculations and assignments for 6-methyl-4-bromomethylcoumarin.
Sortur V; Yenagi J; Tonannavar J; Jadhav VB; Kulkarni MV
Spectrochim Acta A Mol Biomol Spectrosc; 2006 May; 64(2):301-7. PubMed ID: 16644266
[TBL] [Abstract][Full Text] [Related]
11. Mid-infrared vibrational spectra of discrete acetone-ligated cerium hydroxide cations.
Groenewold GS; Gianotto AK; Cossel KC; Van Stipdonk MJ; Oomens J; Polfer N; Moore DT; de Jong WA; McIlwain ME
Phys Chem Chem Phys; 2007 Feb; 9(5):596-606. PubMed ID: 17242741
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Vibrational spectrum and assignments of 2-(4-methoxyphenyl)-1H-benzo[d]imidazole by ab initio Hartree-Fock and density functional methods.
Arslan H; Algül O
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):109-16. PubMed ID: 17728175
[TBL] [Abstract][Full Text] [Related]
14. Structural features of the adenosine conjugate in means of vibrational spectroscopy and DFT.
Malek K; Podstawka E; Milecki J; Schroeder G; Proniewicz LM
Biophys Chem; 2009 Jun; 142(1-3):17-26. PubMed ID: 19344993
[TBL] [Abstract][Full Text] [Related]
15. Gas-phase vibrational spectroscopy and ab initio study of organophosphorus compounds: discrimination between species and conformers.
Cuisset A; Mouret G; Pirali O; Roy P; Cazier F; Nouali H; Demaison J
J Phys Chem B; 2008 Oct; 112(39):12516-25. PubMed ID: 18781711
[TBL] [Abstract][Full Text] [Related]
16. Scaled quantum chemical calculations and FT-IR, FT-Raman spectral analysis of 2-methyl piperazine.
Krishnakumar V; Seshadri S
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):833-8. PubMed ID: 17317283
[TBL] [Abstract][Full Text] [Related]
17. FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of 2,3-difluoro phenol.
Sundaraganesan N; Anand B; Meganathan C; Joshua BD
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):561-6. PubMed ID: 17324616
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Conformational stability, structural parameters and vibrational assignment from variable temperature infrared spectra of krypton solutions and ab initio calculations of ethylisothiocyanate.
Durig JR; Zheng C
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):783-95. PubMed ID: 17433767
[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]