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Journal Abstract Search

177 related items for PubMed ID: 19045019

  • 1. Theoretical study of the D-->C emission spectrum of NO(2).
    Schinke R.
    J Chem Phys; 2008 Sep 28; 129(12):124303. PubMed ID: 19045019
    [Abstract] [Full Text] [Related]

  • 2. Role of OH-stretch/torsion coupling and quantum yield effects in the first OH overtone spectrum of cis-cis HOONO.
    McCoy AB, Fry JL, Francisco JS, Mollner AK, Okumura M.
    J Chem Phys; 2005 Mar 08; 122(10):104311. PubMed ID: 15836319
    [Abstract] [Full Text] [Related]

  • 3. Born-Oppenheimer symmetry breaking in the C state of NO2: importance of static and dynamic correlation effects.
    Bera PP, Yamaguchi Y, Schaefer HF, Crawford TD.
    J Phys Chem A; 2008 Mar 27; 112(12):2669-76. PubMed ID: 18311948
    [Abstract] [Full Text] [Related]

  • 4. Ab initio potential energy surfaces for the ground (X1A') and excited (A1A'') electronic states of HGeBr and the Absorption and emission spectra of HGeBr/DGeBr.
    Lin S, Xie D, Guo H.
    J Phys Chem A; 2009 Jul 02; 113(26):7314-21. PubMed ID: 19290597
    [Abstract] [Full Text] [Related]

  • 5. 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]

  • 6. An ab initio global potential-energy surface for NH2(A(2)A') and vibrational spectrum of the Renner-Teller A(2)A'-X(2)A" system.
    Zhou S, Li Z, Xie D, Lin SY, Guo H.
    J Chem Phys; 2009 May 14; 130(18):184307. PubMed ID: 19449921
    [Abstract] [Full Text] [Related]

  • 7. Density functional theory and multireference configuration interaction studies on low-lying excited states of TiO2.
    Grein F.
    J Chem Phys; 2007 Jan 21; 126(3):034313. PubMed ID: 17249877
    [Abstract] [Full Text] [Related]

  • 8. A new ab initio potential-energy surface of HO2(X2A") and quantum studies of HO2 vibrational spectrum and rate constants for the H + O2 <--> O + OH reactions.
    Xu C, Xie D, Zhang DH, Lin SY, Guo H.
    J Chem Phys; 2005 Jun 22; 122(24):244305. PubMed ID: 16035755
    [Abstract] [Full Text] [Related]

  • 9. A new ab initio potential-energy surface for NH2(X 2A") and quantum studies of NH2 vibrational spectrum and rate constant for the N(2D)+H2-->NH+H reaction.
    Zhou S, Xie D, Lin SY, Guo H.
    J Chem Phys; 2008 Jun 14; 128(22):224316. PubMed ID: 18554022
    [Abstract] [Full Text] [Related]

  • 10. Potential energy surface, van der Waals motions, and vibronic transitions in phenol-argon complex.
    Makarewicz J.
    J Chem Phys; 2006 Feb 28; 124(8):084310. PubMed ID: 16512719
    [Abstract] [Full Text] [Related]

  • 11. A combined ab initio and Franck-Condon factor simulation study on the photodetachment spectrum of ScO2(-).
    Lee EP, Mok DK, Chau FT, Dyke JM.
    J Comput Chem; 2009 Feb 28; 30(3):337-45. PubMed ID: 18629874
    [Abstract] [Full Text] [Related]

  • 12. 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]

  • 13. The Huggins band of ozone: a theoretical analysis.
    Qu ZW, Zhu H, Grebenshchikov SY, Schinke R, Farantos SC.
    J Chem Phys; 2004 Dec 15; 121(23):11731-45. PubMed ID: 15634138
    [Abstract] [Full Text] [Related]

  • 14. Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface.
    Wang Y, Braams BJ, Bowman JM, Carter S, Tew DP.
    J Chem Phys; 2008 Jun 14; 128(22):224314. PubMed ID: 18554020
    [Abstract] [Full Text] [Related]

  • 15. An ab initio potential energy surface and vibrational states of MgH2(1(1)A').
    Li H, Xie D, Guo H.
    J Chem Phys; 2004 Sep 01; 121(9):4156-63. PubMed ID: 15332962
    [Abstract] [Full Text] [Related]

  • 16. Experimental and theoretical investigations of the reactions NH(X 3Sigma-) + D(2S)-->ND(X 3Sigma-) + H(2S) and NH(X 3Sigma-) + D(2S)-->N(4S) + HD(X 1Sigmag+).
    Qu ZW, Zhu H, Schinke R, Adam L, Hack W.
    J Chem Phys; 2005 May 22; 122(20):204313. PubMed ID: 15945730
    [Abstract] [Full Text] [Related]

  • 17. A reliable ab initio potential energy surface and vibrational states for the ground electronic state of HgH2(X1Sigma+g).
    Li H, Xie D, Guo H.
    J Chem Phys; 2005 Apr 08; 122(14):144314. PubMed ID: 15847529
    [Abstract] [Full Text] [Related]

  • 18. Intermolecular interaction in an open-shell pi-bound cationic complex: IR spectrum and coupled cluster calculations for C2H2+-Ar.
    Dopfer O, Olkhov RV, Mladenovic M, Botschwina P.
    J Chem Phys; 2004 Jul 22; 121(4):1744-53. PubMed ID: 15260724
    [Abstract] [Full Text] [Related]

  • 19. Dissociative double ionization of CO2: dynamics, energy levels, and lifetime.
    Sharma V, Bapat B, Mondal J, Hochlaf M, Giri K, Sathyamurthy N.
    J Phys Chem A; 2007 Oct 18; 111(41):10205-11. PubMed ID: 17497762
    [Abstract] [Full Text] [Related]

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