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361 related items for PubMed ID: 17455917

  • 1. Rovibrational spectra of LiH2+, LiHD+ and LiD2+ determined from FCI property surfaces.
    Page AJ, von Nagy-Felsobuki EI.
    J Phys Chem A; 2007 May 24; 111(20):4478-88. PubMed ID: 17455917
    [Abstract] [Full Text] [Related]

  • 2. Intermolecular potential energy surface and spectra of He-HCl with generalization to other rare gas-hydrogen halide complexes.
    Murdachaew G, Szalewicz K, Jiang H, Bacić Z.
    J Chem Phys; 2004 Dec 15; 121(23):11839-55. PubMed ID: 15634146
    [Abstract] [Full Text] [Related]

  • 3. The Na(+)-H(2) cation complex: Rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations.
    Poad BL, Wearne PJ, Bieske EJ, Buchachenko AA, Bennett DI, Kłos J, Alexander MH.
    J Chem Phys; 2008 Nov 14; 129(18):184306. PubMed ID: 19045402
    [Abstract] [Full Text] [Related]

  • 4. Three-dimensional potential energy surface of the Ar-OH(2Pi i) complex.
    Sumiyoshi Y, Funahara I, Sato K, Ohshima Y, Endo Y.
    J Chem Phys; 2006 Sep 28; 125(12):124307. PubMed ID: 17014174
    [Abstract] [Full Text] [Related]

  • 5. Potential energy surface and quantum dynamics study of rovibrational states for HO(3) (X (2)A'').
    Braams BJ, Yu HG.
    Phys Chem Chem Phys; 2008 Jun 07; 10(21):3150-5. PubMed ID: 18688380
    [Abstract] [Full Text] [Related]

  • 6. Infrared spectra of the Li+-(H2)n (n=1-3) cation complexes.
    Emmeluth C, Poad BL, Thompson CD, Weddle GH, Bieske EJ.
    J Chem Phys; 2007 May 28; 126(20):204309. PubMed ID: 17552764
    [Abstract] [Full Text] [Related]

  • 7. Analysis of Rotational and Rovibrational Spectra of SiDF(3) in the Ground and v(4) = 1 Excited States.
    Margulès L, Cosléou J, Bocquet R, Demaison J, Bürger H, Mkadmi EB.
    J Mol Spectrosc; 1999 Nov 28; 198(1):1-9. PubMed ID: 10527774
    [Abstract] [Full Text] [Related]

  • 8. Vibrational energies of LiH2(+) and LiD2(+) in the Ã1Σ+ electronic state.
    Kraemer WP, Spirko V.
    J Phys Chem A; 2011 Oct 20; 115(41):11313-20. PubMed ID: 21913731
    [Abstract] [Full Text] [Related]

  • 9. Rotational spectrum of NSF3 in the ground and v5 = 1 vibrational states: observation of Q-branch perturbation-allowed transitions with delta(k - l) = 0, +/-3, +/-6 and anomalies in the rovibrational structure of the v5 = 1 state.
    Macholl S, Mäder H, Harder H, Margulès L, Dréan P, Cosléou J, Demaison J, Pracna P.
    J Phys Chem A; 2009 Jan 29; 113(4):668-79. PubMed ID: 19123852
    [Abstract] [Full Text] [Related]

  • 10. The Al+ -H(2) cation complex: rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations.
    Emmeluth C, Poad BL, Thompson CD, Weddle G, Bieske EJ, Buchachenko AA, Grinev TA, Kłos J.
    J Chem Phys; 2007 Oct 28; 127(16):164310. PubMed ID: 17979341
    [Abstract] [Full Text] [Related]

  • 11. Analysis of the FASSST rotational spectrum of NCNCS in view of quantum monodromy.
    Winnewisser BP, Winnewisser M, Medvedev IR, De Lucia FC, Ross SC, Koput J.
    Phys Chem Chem Phys; 2010 Aug 01; 12(29):8158-89. PubMed ID: 20372691
    [Abstract] [Full Text] [Related]

  • 12. Ab initio calculations and Franck-Condon simulation of the absorption spectra of GeCl2 including anharmonicity.
    Mok DK, Chau FT, Lee EP, Dyke JM.
    Chemphyschem; 2005 Apr 01; 6(4):719-31. PubMed ID: 15881589
    [Abstract] [Full Text] [Related]

  • 13. A new ab initio ground-state dipole moment surface for the water molecule.
    Lodi L, Tolchenov RN, Tennyson J, Lynas-Gray AE, Shirin SV, Zobov NF, Polyansky OL, Császár AG, van Stralen JN, Visscher L.
    J Chem Phys; 2008 Jan 28; 128(4):044304. PubMed ID: 18247946
    [Abstract] [Full Text] [Related]

  • 14. Ab initio potential energy surfaces, bound states, and electronic spectrum of the Ar-SH complex.
    Doyle RJ, Hirst DM, Hutson JM.
    J Chem Phys; 2006 Nov 14; 125(18):184312. PubMed ID: 17115757
    [Abstract] [Full Text] [Related]

  • 15. Effects of the rotational excitation of D2 and of the potential energy surface on the H+ + D2 --> HD + D+ reaction.
    González-Lezana T, Honvault P, Jambrina PG, Aoiz FJ, Launay JM.
    J Chem Phys; 2009 Jul 28; 131(4):044315. PubMed ID: 19655875
    [Abstract] [Full Text] [Related]

  • 16. Exploring the new three-dimensional ab initio interaction energy surface of the Ar-HF complex: rovibrational calculations for Ar-HF and Ar-DF with vibrationally excited diatoms.
    Jankowski P.
    J Chem Phys; 2008 Apr 21; 128(15):154311. PubMed ID: 18433213
    [Abstract] [Full Text] [Related]

  • 17. Spectroscopy of Ar-SH and Ar-SD. II. Determination of the three-dimensional intermolecular potential-energy surface.
    Sumiyoshi Y, Endo Y.
    J Chem Phys; 2005 Aug 01; 123(5):054325. PubMed ID: 16108657
    [Abstract] [Full Text] [Related]

  • 18. Dipole moment and rovibrational intensities in the electronic ground state of NH3: bridging the gap between ab initio theory and spectroscopic experiment.
    Yurchenko SN, Carvajal M, Lin H, Zheng J, Thiel W, Jensen P.
    J Chem Phys; 2005 Mar 08; 122(10):104317. PubMed ID: 15836325
    [Abstract] [Full Text] [Related]

  • 19. Rovibrational energy levels of hydrogen peroxide, studied by MULTIMODE with a reaction path Hamiltonian.
    Carter S, Handy NC.
    Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jul 08; 60(8-9):2107-11. PubMed ID: 15248993
    [Abstract] [Full Text] [Related]

  • 20. Multireference configuration interaction studies on the ground and excited states of N2O2: the potential energy curves of N2O2 along N-N distance.
    Li Y, Vo CK.
    J Chem Phys; 2006 Sep 07; 125(9):094303. PubMed ID: 16965076
    [Abstract] [Full Text] [Related]

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