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792 related items for PubMed ID: 23145731

  • 21. Ab initio large-amplitude quantum-tunneling dynamics in vinyl radical: a vibrationally adiabatic approach.
    Nesbitt DJ, Dong F.
    Phys Chem Chem Phys; 2008 Apr 21; 10(15):2113-22. PubMed ID: 18688365
    [Abstract] [Full Text] [Related]

  • 22. A comparison of experimental and calculated spectra of HNO3 in the near-infrared using Fourier transform infrared spectroscopy and vibrational perturbation theory.
    Feierabend KJ, Havey DK, Varner ME, Stanton JF, Vaida V.
    J Chem Phys; 2006 Mar 28; 124(12):124323. PubMed ID: 16599690
    [Abstract] [Full Text] [Related]

  • 23. Highly accurate potential-energy and dipole moment surfaces for vibrational state calculations of methane.
    Oyanagi C, Yagi K, Taketsugu T, Hirao K.
    J Chem Phys; 2006 Feb 14; 124(6):64311. PubMed ID: 16483211
    [Abstract] [Full Text] [Related]

  • 24. Calculation of vibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches.
    Kjaergaard HG, Garden AL, Chaban GM, Gerber RB, Matthews DA, Stanton JF.
    J Phys Chem A; 2008 May 08; 112(18):4324-35. PubMed ID: 18407701
    [Abstract] [Full Text] [Related]

  • 25. Intermolecular vibrations of fluorobenzene-Ar up to 130 cm(-1) in the ground electronic state.
    Gascooke JR, Alexander UN, Lawrance WD.
    J Chem Phys; 2012 Aug 28; 137(8):084305. PubMed ID: 22938231
    [Abstract] [Full Text] [Related]

  • 26. Experimental and Ab Initio Studies of the HDO Absorption Spectrum in the 13 165-13 500 cm(-1) Spectral Region.
    Naumenko O, Bertseva E, Campargue A, Schwenke DW.
    J Mol Spectrosc; 2000 Jun 28; 201(2):297-309. PubMed ID: 10814493
    [Abstract] [Full Text] [Related]

  • 27. Vibration-rotation-tunneling states of the benzene dimer: an ab initio study.
    van der Avoird A, Podeszwa R, Szalewicz K, Leforestier C, van Harrevelt R, Bunker PR, Schnell M, von Helden G, Meijer G.
    Phys Chem Chem Phys; 2010 Aug 01; 12(29):8219-40. PubMed ID: 20485846
    [Abstract] [Full Text] [Related]

  • 28. The weak fundamental NH-stretching transition in amines.
    Schrøder SD, Hansen AS, Wallberg JH, Nielsen AR, Du L, Kjaergaard HG.
    Spectrochim Acta A Mol Biomol Spectrosc; 2017 Feb 15; 173():201-206. PubMed ID: 27664544
    [Abstract] [Full Text] [Related]

  • 29. Calculated Vibrational Intensities in the Ã-&Xtilde; Electronic Transition of Acetylene.
    Watson JK.
    J Mol Spectrosc; 2001 Jun 15; 207(2):276-284. PubMed ID: 11397117
    [Abstract] [Full Text] [Related]

  • 30. Combined IR/NIR and density functional theory calculations analysis of the solvent effects on frequencies and intensities of the fundamental and overtones of the C ═ O stretching vibrations of acetone and 2-hexanone.
    Chen Y, Morisawa Y, Futami Y, Czarnecki MA, Wang HS, Ozaki Y.
    J Phys Chem A; 2014 Apr 10; 118(14):2576-83. PubMed ID: 24654701
    [Abstract] [Full Text] [Related]

  • 31. Solvent dependence of absorption intensities and wavenumbers of the fundamental and first overtone of NH stretching vibration of pyrrole studied by near-infrared/infrared spectroscopy and DFT calculations.
    Futami Y, Ozaki Y, Hamada Y, Wojcik MJ, Ozaki Y.
    J Phys Chem A; 2011 Feb 24; 115(7):1194-8. PubMed ID: 21299252
    [Abstract] [Full Text] [Related]

  • 32. Vibrational structure and methyl C-H dynamics in propyne.
    Portnov A, Blockstein L, Bar I.
    J Chem Phys; 2006 Apr 28; 124(16):164301. PubMed ID: 16674129
    [Abstract] [Full Text] [Related]

  • 33. Phase shift cavity ring down and Fourier transform infrared measurements of C-H vibrational transitions, energy levels, and intensities of (CH3)3Si-C≡C-H.
    Barroso JZ, Perez-Delgado Y, Manzanares CE.
    J Chem Phys; 2013 Jul 07; 139(1):014311. PubMed ID: 23822307
    [Abstract] [Full Text] [Related]

  • 34. Retinal Vibrations in Bacteriorhodopsin are Mechanically Harmonic but Electrically Anharmonic: Evidence From Overtone and Combination Bands.
    Lorenz-Fonfria VA, Yagi K, Ito S, Kandori H.
    Front Mol Biosci; 2021 Jul 07; 8():749261. PubMed ID: 34977154
    [Abstract] [Full Text] [Related]

  • 35. CH-stretching overtone spectroscopy of 1,1,1,2-tetrafluoroethane.
    Saar BG, Steeves AH, Thoman JW, Howard DL, Schofield DP, Kjaergaard HG.
    J Phys Chem A; 2005 Jun 23; 109(24):5323-31. PubMed ID: 16839056
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  • 36. Measurement of the sixth overtone band of nitric oxide, and its dipole moment function, using cavity-enhanced frequency modulation spectroscopy.
    Bood J, McIlroy A, Osborn DL.
    J Chem Phys; 2006 Feb 28; 124(8):084311. PubMed ID: 16512720
    [Abstract] [Full Text] [Related]

  • 37. Duschinsky mixing between four non-totally symmetric normal coordinates in the S(1)-S(0) vibronic structure of (E)-phenylvinylacetylene: a quantitative analysis.
    Müller CW, Newby JJ, Liu CP, Rodrigo CP, Zwier TS.
    Phys Chem Chem Phys; 2010 Mar 14; 12(10):2331-43. PubMed ID: 20449346
    [Abstract] [Full Text] [Related]

  • 38. Overtone vibrational spectroscopy in H2-H2O complexes: a combined high level theoretical ab initio, dynamical and experimental study.
    Ziemkiewicz MP, Pluetzer C, Nesbitt DJ, Scribano Y, Faure A, van der Avoird A.
    J Chem Phys; 2012 Aug 28; 137(8):084301. PubMed ID: 22938227
    [Abstract] [Full Text] [Related]

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