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Journal Abstract Search

174 related items for PubMed ID: 17125321

  • 21. Time-dependent wave packet and quasiclassical trajectory study of the C(3P) + OH(X 2Pi) --> CO(X 1Sigma+) + H(2S) reaction at the state-to-state level.
    Bulut N, Zanchet A, Honvault P, Bussery-Honvault B, Bañares L.
    J Chem Phys; 2009 May 21; 130(19):194303. PubMed ID: 19466832
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  • 22. Quantum wave packet dynamics of N(2D)+H2 reaction.
    Jayachander Rao B, Mahapatra S.
    J Chem Phys; 2007 Dec 28; 127(24):244307. PubMed ID: 18163675
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  • 23. Differential and integral cross sections for the H + O2 --> OH + O combustion reaction.
    Honvault P, Lin SY, Xie D, Guo H.
    J Phys Chem A; 2007 Jun 28; 111(25):5349-52. PubMed ID: 17547384
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  • 24. 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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  • 25. Quantum dynamics of H2, D2, and HD in the small dodecahedral cage of clathrate hydrate: evaluating H2-water nanocage interaction potentials by comparison of theory with inelastic neutron scattering experiments.
    Xu M, Sebastianelli F, Bacić Z.
    J Chem Phys; 2008 Jun 28; 128(24):244715. PubMed ID: 18601373
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  • 26. An eight-degree-of-freedom, time-dependent quantum dynamics study for the H2+C2H reaction on a new modified potential energy surface.
    Wang D, Huo WM.
    J Chem Phys; 2007 Oct 21; 127(15):154304. PubMed ID: 17949146
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  • 28. Spin-orbit coupling in O2(v)+O2 collisions. II. Quantum scattering calculations on dimer states involving the X 3 Sigma g -, a 1 Delta g, and b 1 Sigma g + states of O2.
    Dayou F, Hernández MI, Campos-Martínez J, Hernández-Lamoneda R.
    J Chem Phys; 2007 May 21; 126(19):194309. PubMed ID: 17523806
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  • 31. A time-dependent wave packet quantum scattering study of the reaction HD+ (v = 0 - 3;j0 = 1) + He --> HeH+(HeD+) + D(H).
    Tang X, Houchins C, Lau KC, Ng CY, Dressler RA, Chiu YH, Chu TS, Han KL.
    J Chem Phys; 2007 Oct 28; 127(16):164318. PubMed ID: 17979349
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  • 32. 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
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  • 33. Accurate ab initio and "hybrid" potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer.
    Shank A, Wang Y, Kaledin A, Braams BJ, Bowman JM.
    J Chem Phys; 2009 Apr 14; 130(14):144314. PubMed ID: 19368452
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  • 34. 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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  • 38. A quasiclassical trajectory study of the reaction H + O2 <==> OH + O with the O2 reagent vibrationally excited.
    Duchovic RJ, Parker MA.
    J Phys Chem A; 2005 Jul 07; 109(26):5883-96. PubMed ID: 16833923
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  • 40. The hydrogen abstraction reaction H + CH4. I. New analytical potential energy surface based on fitting to ab initio calculations.
    Corchado JC, Bravo JL, Espinosa-Garcia J.
    J Chem Phys; 2009 May 14; 130(18):184314. PubMed ID: 19449928
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