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789 related items for PubMed ID: 17604210
41. Conformational structure of gaseous 3-chloropropanoyl chloride by electron diffraction, normal coordinate analysis, and ab initio molecular orbital, and density functional theory calculations. Johansen TH, Hagen K. J Phys Chem A; 2006 Sep 28; 110(38):11136-44. PubMed ID: 16986848 [Abstract] [Full Text] [Related]
42. The vibrational spectra, assignments and ab initio/DFT analysis for 3-chloro, 4-chloro and 5-chloro-2-methylphenyl isocyanates. Doddamani SB, Ramoji A, Yenagi J, Tonannavar J. Spectrochim Acta A Mol Biomol Spectrosc; 2007 May 28; 67(1):150-9. PubMed ID: 16942913 [Abstract] [Full Text] [Related]
43. Structure and conformation studies from temperature dependent infrared spectra of xenon solutions and ab initio calculations of cyclobutylgermane. Guirgis GA, Klaassen JJ, Deodhar BS, Sawant DK, Panikar SS, Dukes HW, Wyatt JK, Durig JR. Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec 28; 99():266-78. PubMed ID: 23085284 [Abstract] [Full Text] [Related]
44. 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 28; 68(3):710-7. PubMed ID: 17418630 [Abstract] [Full Text] [Related]
45. Molecular structure, conformation, and potential to internal rotation of 2,6- and 3,5-difluoronitrobenzene studied by gas-phase electron diffraction and quantum chemical calculations. Dorofeeva OV, Ferenets AV, Karasev NM, Vilkov LV, Oberhammer H. J Phys Chem A; 2008 Jun 05; 112(22):5002-9. PubMed ID: 18461918 [Abstract] [Full Text] [Related]
46. 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 15; 73(2):277-80. PubMed ID: 19345137 [Abstract] [Full Text] [Related]
47. Isofulminic acid, HONC: Ab initio theory and microwave spectroscopy. Mladenović M, Lewerenz M, McCarthy MC, Thaddeus P. J Chem Phys; 2009 Nov 07; 131(17):174308. PubMed ID: 19895013 [Abstract] [Full Text] [Related]
48. 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 07; 69(3):926-32. PubMed ID: 17613269 [Abstract] [Full Text] [Related]
49. 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 15; 64(2):301-7. PubMed ID: 16644266 [Abstract] [Full Text] [Related]
50. Theoretical investigation of the structure and vibrational spectra of carbamoyl azide. Umar Y. Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jun 15; 64(3):568-73. PubMed ID: 16387539 [Abstract] [Full Text] [Related]
51. Molecular structure of 9H-adenine tautomer: gas-phase electron diffraction and quantum-chemical studies. Vogt N, Dorofeeva OV, Sipachev VA, Rykov AN. J Phys Chem A; 2009 Dec 10; 113(49):13816-23. PubMed ID: 19863126 [Abstract] [Full Text] [Related]
52. Conformational stability of CH3CH2PH2BH3 from temperature dependent FT-IR spectra of xenon solutions and r0 structural parameters. Durig JR, Robb JB, Xiao J, Gounev TK. Spectrochim Acta A Mol Biomol Spectrosc; 2000 Jan 10; 56A(1):29-46. PubMed ID: 10728854 [Abstract] [Full Text] [Related]
53. Vibrational frequencies and infrared intensities of the hydrogen-bonded complexes of nitrous acid with ethers: ab initio and DFT studies. Dimitrova Y, Slavova I. Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jul 10; 61(9):2095-102. PubMed ID: 15911397 [Abstract] [Full Text] [Related]
54. Spectra and structure of silicon containing compounds. XXVII. Raman and infrared spectra, conformational stability, vibrational assignment and ab initio calculations of vinyldichlorosilane. Guirgis GA, Zhen P, Durig JR. Spectrochim Acta A Mol Biomol Spectrosc; 2000 Sep 10; 56A(10):1957-70. PubMed ID: 10989888 [Abstract] [Full Text] [Related]
55. Conformational and vibrational analysis of methyl methanesulfonate, CH3SO2OCH3. Tuttolomondo ME, Navarro A, Peña T, Varetti EL, Parker SF, Ben Altabef A. J Phys Chem A; 2009 Jul 23; 113(29):8401-8. PubMed ID: 19569677 [Abstract] [Full Text] [Related]
56. Structural stability, C--N internal rotations and vibrational spectral analysis of non-planar phenylurea and phenylthiourea. Badawi HM. Spectrochim Acta A Mol Biomol Spectrosc; 2009 Apr 23; 72(3):523-7. PubMed ID: 19083262 [Abstract] [Full Text] [Related]
57. Raman spectrum, conformational stability, barriers to internal rotations and DFT calculations of 1,1,1-trifluoro-propane-2-thione with double-internal-symmetric rotor. Mohamed TA, Farag RS. Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec 23; 62(4-5):800-7. PubMed ID: 16303627 [Abstract] [Full Text] [Related]
58. Gas-phase structure, rotational barrier, and vibrational properties of methyl methanethiosulfonate, CH3SO2SCH3: an experimental and computational study. Tuttolomondo ME, Navarro A, Ruiz TP, Varetti EL, Hayes SA, Wann DA, Robertson HE, Rankin DW, Altabef AB. J Phys Chem A; 2007 Oct 04; 111(39):9952-60. PubMed ID: 17760430 [Abstract] [Full Text] [Related]
59. Three rotor potential energy scans, conformational equilibrium constants and vibrational analysis of 3-fluoro-1-propanol CH(2)FCH(2)CH(2)OH. Badawi HM, Förner W, Ali SA. Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jan 04; 69(1):263-71. PubMed ID: 17485239 [Abstract] [Full Text] [Related]
60. Spectra and structure of silicon-containing compounds. Part XXXVIII: Infrared and Raman spectra, vibrational assignment, conformational stability, and ab initio calculations of vinyldifluorosilane. Durig JR, Guirgis GA, Zheng C, Mohamed TA. Spectrochim Acta A Mol Biomol Spectrosc; 2003 Jul 04; 59(9):2099-114. PubMed ID: 12788463 [Abstract] [Full Text] [Related] Page: [Previous] [Next] [New Search]