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570 related items for PubMed ID: 19499544

  • 1. High-level ab initio calculations on HGeCl and the equilibrium geometry of the A1A'' state derived from Franck-Condon analysis of the single-vibronic-level emission spectra of HGeCl and DGeCl.
    Mok DK, Chau FT, Lee EP, Dyke JM.
    J Comput Chem; 2010 Feb; 31(3):476-91. PubMed ID: 19499544
    [Abstract] [Full Text] [Related]

  • 2. Franck-Condon simulation of the single-vibronic-level emission spectra of HPCl/DPCl and the chemiluminescence spectrum of HPCl, including anharmonicity.
    Chau FT, Mok DK, Lee EP, Dyke JM.
    J Chem Phys; 2004 Jul 22; 121(4):1810-23. PubMed ID: 15260732
    [Abstract] [Full Text] [Related]

  • 3. Franck-Condon Simulations including Anharmonicity of the Ã(1)A''-X̃(1)A' Absorption and Single Vibronic Level Emission Spectra of HSiCl and DSiCl.
    Mok DW, Lee EP, Chau FT, Dyke JM.
    J Chem Theory Comput; 2009 Mar 10; 5(3):565-79. PubMed ID: 26610223
    [Abstract] [Full Text] [Related]

  • 4. Ab initio calculations on the X (2)B1 and A (2)A1 states of AsH2, and Franck-Condon simulation, including anharmonicity, of the A(0,0,0)-X single vibronic level emission spectrum of AsH2.
    Lee EP, Mok DK, Chau FT, Dyke JM.
    J Chem Phys; 2010 Jun 21; 132(23):234309. PubMed ID: 20572707
    [Abstract] [Full Text] [Related]

  • 5. A combined ab initio and Franck-Condon factor simulation study on the photodetachment spectrum of HfO2-.
    Mok DK, Lee EP, Chau FT, Dyke JM.
    Phys Chem Chem Phys; 2008 Dec 28; 10(48):7270-7. PubMed ID: 19060972
    [Abstract] [Full Text] [Related]

  • 6. Franck-Condon simulation of the photoelectron spectrum of AsF2 and the photodetachment spectrum of AsF2(-) using ab initio calculations: ionization energy and electron affinity of AsF2.
    Mok DK, Lee EP, Chau FT, Dyke JM.
    Phys Chem Chem Phys; 2010 Aug 21; 12(31):9075-87. PubMed ID: 20532314
    [Abstract] [Full Text] [Related]

  • 7. 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
    [Abstract] [Full Text] [Related]

  • 8. Ab initio calculations on SnCl2 and Franck-Condon factor simulations of its ã-X and B-X absorption and single-vibronic-level emission spectra.
    Lee EP, Dyke JM, Mok DK, Chow WK, Chau FT.
    J Chem Phys; 2007 Jul 14; 127(2):024308. PubMed ID: 17640129
    [Abstract] [Full Text] [Related]

  • 9. Ab initio calculations on low-lying electronic states of SnCl(2)- and Franck-Condon simulation of its photodetachment spectrum.
    Lee EP, Dyke JM, Mok DK, Chow WK, Chau FT.
    Phys Chem Chem Phys; 2008 Feb 14; 10(6):834-43. PubMed ID: 18231686
    [Abstract] [Full Text] [Related]

  • 10. Ab initio calculations on the X (1)A(') and A (1)A(") states of HPO and Franck-Condon simulation of the single vibronic level emission spectra of HPO and DPO.
    Lee EP, Mok DK, Chau FT, Dyke JM.
    J Chem Phys; 2007 Dec 07; 127(21):214305. PubMed ID: 18067355
    [Abstract] [Full Text] [Related]

  • 11. The ground state energy levels and molecular structure of jet-cooled HGeCl and DGeCl from single vibronic level emission spectroscopy.
    Tackett BS, Clouthier DJ, Pacheco KL, Schick GA.
    J Chem Phys; 2006 Mar 28; 124(12):124320. PubMed ID: 16599687
    [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 28; 6(4):719-31. PubMed ID: 15881589
    [Abstract] [Full Text] [Related]

  • 13. Ab initio potential energy surfaces for both the ground (X (1)A') and excited (A (1)A") electronic states of HGeCl and the absorption and emission spectra of HGeCl/DGeCl.
    Lin S, Xie D, Guo H.
    J Chem Phys; 2008 Oct 21; 129(15):154313. PubMed ID: 19045199
    [Abstract] [Full Text] [Related]

  • 14. 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
    [Abstract] [Full Text] [Related]

  • 15. Franck-Condon simulation of the single vibronic level emission spectra of HSiF and DSiF including anharmonicity.
    Mok DK, Lee EP, Chau FT, Dyke JM.
    J Chem Phys; 2004 Jan 15; 120(3):1292-305. PubMed ID: 15268255
    [Abstract] [Full Text] [Related]

  • 16. Franck-Condon simulation, including anharmonicity, of the photodetachment spectrum of P2H(-): restricted-spin coupled-cluster single-double plus perturbative triple and unrestricted-spin coupled-cluster single-double plus perturbative triple -F12x potential energy functions of P2H and P2H(-).
    Mok DK, Lee EP, Chau FT, Dyke JM.
    J Chem Phys; 2011 Sep 28; 135(12):124312. PubMed ID: 21974527
    [Abstract] [Full Text] [Related]

  • 17. An ab initio study of the low-lying electronic states of YO2 and Franck-Condon simulation of the first photodetachment band of YO2(-).
    Lee EP, Dyke JM, Mok DK, Chau FT.
    J Phys Chem A; 2008 May 15; 112(19):4511-20. PubMed ID: 18422292
    [Abstract] [Full Text] [Related]

  • 18. Ab initio calculations on low-lying electronic states of TeO2 and Franck-Condon simulation of the (1)1B2 <-- X1A1 TeO2 absorption spectrum including anharmonicity.
    Lee EP, Mok DK, Chau FT, Dyke JM.
    J Chem Phys; 2004 Aug 15; 121(7):2962-74. PubMed ID: 15291606
    [Abstract] [Full Text] [Related]

  • 19. 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]

  • 20. Simulation of the single-vibronic-level emission spectrum of HPS.
    Mok DK, Lee EP, Chau FT, Dyke JM.
    J Chem Phys; 2014 May 21; 140(19):194311. PubMed ID: 24852542
    [Abstract] [Full Text] [Related]

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