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349 related items for PubMed ID: 19530773

  • 1. Theoretical spectroscopy of trans-HNNH(+) and isotopomers.
    Lauvergnat D, Hochlaf M.
    J Chem Phys; 2009 Jun 14; 130(22):224312. PubMed ID: 19530773
    [Abstract] [Full Text] [Related]

  • 2. Theoretical spectroscopy of acetylene dication and its deuterated species.
    Palaudoux J, Jutier L, Hochlaf M.
    J Chem Phys; 2010 May 21; 132(19):194301. PubMed ID: 20499957
    [Abstract] [Full Text] [Related]

  • 3. Theoretical spectroscopy of the N2HAr+ complex.
    Brites V, Dopfer O, Hochlaf M.
    J Phys Chem A; 2008 Nov 06; 112(44):11283-90. PubMed ID: 18855365
    [Abstract] [Full Text] [Related]

  • 4. Ab initio calculations on SCl2 and low-lying cationic states of SCl2+: Franck-Condon simulation of the UV photoelectron spectrum of SCl2.
    Mok DK, Chau FT, Lee EP, Dyke JM.
    J Chem Phys; 2006 Sep 14; 125(10):104303. PubMed ID: 16999522
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  • 5. Ab initio calculations on SF2 and its low-lying cationic states: anharmonic Franck-Condon simulation of the UV photoelectron spectrum of SF2.
    Lee EP, Mok DK, Chau FT, Dyke JM.
    J Chem Phys; 2006 Sep 14; 125(10):104304. PubMed ID: 16999523
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  • 6. 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 14; 6(4):719-31. PubMed ID: 15881589
    [Abstract] [Full Text] [Related]

  • 7. 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
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  • 15. A quantum chemistry study of the Cl atom reaction with formaldehyde.
    Gruber-Stadler M, Mühlhäuser M, Sellevåg SR, Nielsen CJ.
    J Phys Chem A; 2008 Jan 10; 112(1):9-22. PubMed ID: 18069803
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  • 17. Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface.
    McCoy AB, Huang X, Carter S, Landeweer MY, Bowman JM.
    J Chem Phys; 2005 Feb 08; 122(6):061101. PubMed ID: 15740358
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  • 18. Calculation of IR frequencies and intensities in electrical and mechanical anharmonicity approximations: application to small water clusters.
    Bégué D, Baraille I, Garrain PA, Dargelos A, Tassaing T.
    J Chem Phys; 2010 Jul 21; 133(3):034102. PubMed ID: 20649303
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  • 20. Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory.
    Rauhut G, Knizia G, Werner HJ.
    J Chem Phys; 2009 Feb 07; 130(5):054105. PubMed ID: 19206956
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