1148 related articles for article (PubMed ID: 18781711)
1. 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]
2. Gas-phase synchrotron FTIR spectroscopy of weakly volatile alkyl phosphonate and alkyl phosphate compounds: vibrational and conformational analysis in the terahertz/far-IR spectral domain.
Smirnova IN; Cuisset A; Hindle F; Mouret G; Bocquet R; Pirali O; Roy P
J Phys Chem B; 2010 Dec; 114(50):16936-47. PubMed ID: 21114335
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. Gas-phase infrared spectra of vinyl selenol and vinyl tellurol.
Benidar A; Khater B; Guillemin JC; Gámez JA; Yáñez M
J Phys Chem A; 2009 Nov; 113(46):12857-63. PubMed ID: 19905015
[TBL] [Abstract][Full Text] [Related]
5. Conformational stability from variable temperature infrared spectra of krypton solutions, ab initio calculations, vibrational assignment, and r0 structural parameters of 1,3-difluoropropane.
Durig JR; Zheng C; Williams MJ; Stidham HD; Guirgis GA
Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jun; 60(7):1659-76. PubMed ID: 15147712
[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. 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]
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. 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]
10. Mid-IR spectra of different conformers of phenylalanine in the gas phase.
von Helden G; Compagnon I; Blom MN; Frankowski M; Erlekam U; Oomens J; Brauer B; Gerber RB; Meijer G
Phys Chem Chem Phys; 2008 Mar; 10(9):1248-56. PubMed ID: 18292858
[TBL] [Abstract][Full Text] [Related]
11. Vibrational spectroscopy of protonated imidazole and its complexes with water molecules: ab initio anharmonic calculations and experiments.
Adesokan AA; Chaban GM; Dopfer O; Gerber RB
J Phys Chem A; 2007 Aug; 111(31):7374-81. PubMed ID: 17500546
[TBL] [Abstract][Full Text] [Related]
12. Conformational stability from temperature-dependent fourier transform infrared spectra of noble gas solutions, r0 structural parameters, and barriers to internal rotation for ethylamine.
Durig JR; Zheng C; Gounev TK; Herrebout WA; van der Veken BJ
J Phys Chem A; 2006 May; 110(17):5674-84. PubMed ID: 16640362
[TBL] [Abstract][Full Text] [Related]
13. Vibrational dynamics of the hydrogen bond in H(2)S-HF: Fourier-transform-infrared spectra and ab initio theory.
Asselin P; Soulard P; Madebène B; Esmail Alikhani M; Lewerenz M
Phys Chem Chem Phys; 2006 Apr; 8(15):1785-93. PubMed ID: 16633663
[TBL] [Abstract][Full Text] [Related]
14. Study of the thymine molecule: equilibrium structure from joint analysis of gas-phase electron diffraction and microwave data and assignment of vibrational spectra using results of ab initio calculations.
Vogt N; Khaikin LS; Grikina OE; Rykov AN; Vogt J
J Phys Chem A; 2008 Aug; 112(33):7662-70. PubMed ID: 18665577
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Anharmonic force field and vibrational dynamics of CH2F2 up to 5000 cm(-1) studied by Fourier transform infrared spectroscopy and state-of-the-art ab initio calculations.
Tasinato N; Regini G; Stoppa P; Pietropolli Charmet A; Gambi A
J Chem Phys; 2012 Jun; 136(21):214302. PubMed ID: 22697538
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of p-chlorobenzoic acid.
Sundaraganesan N; Anand B; Meganathan C; Joshua BD
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Mar; 69(3):871-9. PubMed ID: 17658292
[TBL] [Abstract][Full Text] [Related]
19. Gas phase infrared spectrum and ab initio calculations of phosphorus(III) thiocyanide, SPCN.
Allaf AW; Odeh MN
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Nov; 62(1-3):282-6. PubMed ID: 16257726
[TBL] [Abstract][Full Text] [Related]
20. Vibrational assignment of the normal modes of 2-phenyl-4-(4-methoxy benzylidene)-2-oxazolin-5-one via FTIR and Raman spectra, and ab inito calculations.
Singh VB; Singh AK; Rai AK; Singh AN; Rai DK
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):687-93. PubMed ID: 17045517
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
