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253 related items for PubMed ID: 15267331

  • 1. Ab initio analytical potential energy surface and quasiclassical trajectory study of the O(+)((4)S)+H(2)(X (1)Sigma(g) (+))-->OH(+)(X (3)Sigma(-))+H((2)S) reaction and isotopic variants.
    Martínez R, Millán J, Gonzalez M.
    J Chem Phys; 2004 Mar 08; 120(10):4705-14. PubMed ID: 15267331
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  • 3. Exact quantum dynamics study of the O(+)+H2(v=0,j=0)-->OH(+)+H ion-molecule reaction and comparison with quasiclassical trajectory calculations.
    Martínez R, Lucas JM, Giménez X, Aguilar A, González M.
    J Chem Phys; 2006 Apr 14; 124(14):144301. PubMed ID: 16626190
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  • 4. Ab initio potential energy surface, variational transition state theory, and quasiclassical trajectory studies of the F+CH4-->HF+CH3 reaction.
    Troya D, Millán J, Baños I, González M.
    J Chem Phys; 2004 Mar 15; 120(11):5181-91. PubMed ID: 15267389
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  • 11. Study of the C(3P) + OH(X2Pi) --> CO(a3Pi) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A'' and 14A'' excited states and non adiabatic couplings.
    Zanchet A, Bussery-Honvault B, Jorfi M, Honvault P.
    Phys Chem Chem Phys; 2009 Aug 07; 11(29):6182-91. PubMed ID: 19606328
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  • 15. Time dependent quantum dynamics study of the O++H2(v=0,j=0)-->OH++H ion-molecule reaction and isotopic variants (D2,HD).
    Martínez R, Sierra JD, Gray SK, González M.
    J Chem Phys; 2006 Oct 28; 125(16):164305. PubMed ID: 17092071
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  • 16. Accurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limit.
    Song YZ, Varandas AJ.
    J Chem Phys; 2009 Apr 07; 130(13):134317. PubMed ID: 19355742
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  • 17. Dynamics of the O(3P) + H2 reaction at low temperatures: comparison of quasiclassical trajectory with quantum scattering calculations.
    Weck PF, Balakrishnan N, Brandão J, Rosa C, Wang W.
    J Chem Phys; 2006 Feb 21; 124(7):74308. PubMed ID: 16497037
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  • 19. Global analytical potential energy surfaces for HO2(X2A") based on high-level ab initio calculations.
    Xie D, Xu C, Ho TS, Rabitz H, Lendvay G, Lin SY, Guo H.
    J Chem Phys; 2007 Feb 21; 126(7):074315. PubMed ID: 17328613
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