132 related articles for article (PubMed ID: 15979394)
1. The vibrational spectrum of the stable free radical 1,1,3,3-tetramethylisoindolin-2-yloxyl.
Rintoul L; Micallef AS; Reid DA; Bottle SE
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Feb; 63(2):398-402. PubMed ID: 15979394
[TBL] [Abstract][Full Text] [Related]
2. The vibrational group frequency of the N-O* stretching band of nitroxide stable free radicals.
Rintoul L; Micallef AS; Bottle SE
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Sep; 70(4):713-7. PubMed ID: 17919970
[TBL] [Abstract][Full Text] [Related]
3. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.
Stare J; Panek J; Eckert J; Grdadolnik J; Mavri J; Hadzi D
J Phys Chem A; 2008 Feb; 112(7):1576-86. PubMed ID: 18225869
[TBL] [Abstract][Full Text] [Related]
4. FT-Raman and infrared spectra and vibrational assignments for 3-chloro-4-methoxybenzaldehyde, as supported by ab initio, hybrid density functional theory and normal coordinate calculations.
Hiremath CS; Yenagi J; Tonannavar J
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):710-7. PubMed ID: 17418630
[TBL] [Abstract][Full Text] [Related]
5. Vibrational spectra and structure of RDX and its 13C- and 15N-labeled derivatives: a theoretical and experimental study.
Infante-Castillo R; Pacheco-Londoño L; Hernández-Rivera SP
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jul; 76(2):137-41. PubMed ID: 20381411
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Vibrational analysis and spectra of orotic acid.
Hernanz A; Billes F; Bratu I; Navarro R
Biopolymers; 2000; 57(3):187-98. PubMed ID: 10805916
[TBL] [Abstract][Full Text] [Related]
8. Vibrational spectra and assignments of 3-aminobenzyl alcohol by ab initio Hartree-Fock and density functional method.
Sundaraganesan N; Anand B; Meganathan C; Joshua BD; Saleem H
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jan; 69(1):198-204. PubMed ID: 17512242
[TBL] [Abstract][Full Text] [Related]
9. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3,4-dimethylbenzaldehyde.
Sundaraganesan N; Ilakiamani S; Dominic Joshua B
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):680-7. PubMed ID: 17418627
[TBL] [Abstract][Full Text] [Related]
10. Molecular structures and vibrational frequencies of xanthine and its methyl derivatives (caffeine and theobromine) by ab initio Hartree-Fock and density functional theory calculations.
Ucun F; Sağlam A; Güçlü V
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jun; 67(2):342-9. PubMed ID: 16942910
[TBL] [Abstract][Full Text] [Related]
11. Density functional calculations on the structure, vibrational frequencies and normal modes of 7-Azaindole.
Karthikeyan B
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jul; 64(4):1083-7. PubMed ID: 16458064
[TBL] [Abstract][Full Text] [Related]
12. 2-Bromohydroquinone: structures, vibrational assignments and RHF, B- and B3-based density functional calculations.
Ramoji A; Yenagi J; Tonannavar J
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Mar; 69(3):926-32. PubMed ID: 17613269
[TBL] [Abstract][Full Text] [Related]
13. Density functional theory studies on the Raman and IR spectra of meso-tetraphenylporphyrin diacid.
Xu LC; Li ZY; Tan W; He TJ; Liu FC; Chen DM
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec; 62(4-5):850-62. PubMed ID: 16303631
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Ab initio and DFT studies of the molecular structures and vibrational spectra of succinonitrile.
Umar Y; Morsy MA
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr; 66(4-5):1133-40. PubMed ID: 16872884
[TBL] [Abstract][Full Text] [Related]
16. FTIR, Raman spectra and ab initio calculations of 2-mercaptobenzothiazole.
Rai AK; Singh R; Singh KN; Singh VB
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Feb; 63(2):483-90. PubMed ID: 16098806
[TBL] [Abstract][Full Text] [Related]
17. Conformational stability of cyclobutanol from temperature dependent infrared spectra of xenon solutions, r0 structural parameters, ab initio calculations and vibrational assignment.
Durig JR; Ganguly A; El Defrawy AM; Gounev TK; Guirgis GA
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(4):1379-89. PubMed ID: 18602334
[TBL] [Abstract][Full Text] [Related]
18. Quantum chemistry-based analysis of the vibrational spectra of five-coordinate metalloporphyrins [M(TPP)Cl].
Paulat F; Praneeth VK; Näther C; Lehnert N
Inorg Chem; 2006 Apr; 45(7):2835-56. PubMed ID: 16562940
[TBL] [Abstract][Full Text] [Related]
19. Vibrational spectrum, conformational stability, structural parameters and ab initio calculations of dimethylaminodifluorophosphine.
Durig JR; Panikar S; Zhou X; El Defrawy AM
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Mar; 69(3):715-25. PubMed ID: 17604210
[TBL] [Abstract][Full Text] [Related]
20. Detection and determination of the {Fe(NO)(2)} core vibrational features in dinitrosyl-iron complexes from experiment, normal coordinate analysis, and density functional theory: an avenue for probing the nitric oxide oxidation state.
Dai RJ; Ke SC
J Phys Chem B; 2007 Mar; 111(9):2335-46. PubMed ID: 17295535
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
