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648 related items for PubMed ID: 18181592

  • 1. Fully Coriolis-coupled quantum studies of the H + O2 (upsilon i = 0-2, j i = 0,1) --> OH + O reaction on an accurate potential energy surface: integral cross sections and rate constants.
    Lin SY, Sun Z, Guo H, Zhang DH, Honvault P, Xie D, Lee SY.
    J Phys Chem A; 2008 Jan 31; 112(4):602-11. PubMed ID: 18181592
    [Abstract] [Full Text] [Related]

  • 2. Accurate quantum mechanical calculations of differential and integral cross sections and rate constant for the O+OH reaction using an ab initio potential energy surface.
    Lin SY, Guo H, Honvault P, Xu C, Xie D.
    J Chem Phys; 2008 Jan 07; 128(1):014303. PubMed ID: 18190192
    [Abstract] [Full Text] [Related]

  • 3. Study of the H+O2 reaction by means of quantum mechanical and statistical approaches: the dynamics on two different potential energy surfaces.
    Bargueño P, González-Lezana T, Larrégaray P, Bonnet L, Rayez JC, Hankel M, Smith SC, Meijer AJ.
    J Chem Phys; 2008 Jun 28; 128(24):244308. PubMed ID: 18601333
    [Abstract] [Full Text] [Related]

  • 4. State-to-state reaction probabilities for the H+O2(v,j)-->O+OH(v',j') reaction on three potential energy surfaces.
    Hankel M, Smith SC, Meijer AJ.
    J Chem Phys; 2007 Aug 14; 127(6):064316. PubMed ID: 17705605
    [Abstract] [Full Text] [Related]

  • 5. Exact quantum dynamics of N(2D) + H2 --> NH + H reaction: cross-sections, rate constants, and dependence on reactant rotation.
    Lin SY, Guo H.
    J Chem Phys; 2006 Jan 21; 124(3):031101. PubMed ID: 16438560
    [Abstract] [Full Text] [Related]

  • 6. Energy dependence of differential and integral cross sections for O((1)D)+H(2)(upsilon(i)=0,j(i)=0)-->OH(upsilon(f),j(f))+H reaction.
    Lin SY, Guo H.
    J Chem Phys; 2008 Sep 28; 129(12):124311. PubMed ID: 19045027
    [Abstract] [Full Text] [Related]

  • 7. Coriolis-coupled wave packet dynamics of H + HLi reaction.
    Padmanaban R, Mahapatra S.
    J Phys Chem A; 2006 May 11; 110(18):6039-46. PubMed ID: 16671673
    [Abstract] [Full Text] [Related]

  • 8. Effects of reactant rotational excitation on H + O2--> OH + O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations.
    Lin SY, Guo H, Lendvay G, Xie D.
    Phys Chem Chem Phys; 2009 Jun 21; 11(23):4715-21. PubMed ID: 19492124
    [Abstract] [Full Text] [Related]

  • 9. Time-resolved gas-phase kinetic and quantum chemical studies of the reaction of silylene with oxygen.
    Becerra R, Bowes SJ, Ogden JS, Cannady JP, Adamovic I, Gordon MS, Almond MJ, Walsh R.
    Phys Chem Chem Phys; 2005 Aug 07; 7(15):2900-8. PubMed ID: 16189609
    [Abstract] [Full Text] [Related]

  • 10. Quantum mechanical calculation of energy dependence of OCl/OH product branching ratio and product quantum state distributions for the O(1D) + HCl reaction on all three contributing electronic state potential energy surfaces.
    Yang H, Han KL, Nanbu S, Nakamura H, Balint-Kurti GG, Zhang H, Smith SC, Hankel M.
    J Phys Chem A; 2008 Aug 28; 112(34):7947-60. PubMed ID: 18683915
    [Abstract] [Full Text] [Related]

  • 11. 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
    [Abstract] [Full Text] [Related]

  • 12. Quantum wave-packet dynamics of H+HLi scattering: reaction cross section and thermal rate constant.
    Padmanaban R, Mahapatra S.
    J Chem Phys; 2004 Oct 22; 121(16):7681-91. PubMed ID: 15485227
    [Abstract] [Full Text] [Related]

  • 13. The dynamics of the H(+) + D(2) reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results.
    Jambrina PG, Aoiz FJ, Bulut N, Smith SC, Balint-Kurti GG, Hankel M.
    Phys Chem Chem Phys; 2010 Feb 07; 12(5):1102-15. PubMed ID: 20094675
    [Abstract] [Full Text] [Related]

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

  • 15. Time-dependent quantum study of H(2S) + FO(2Pi) --> OH(2Pi) + F(2P) reaction on the 1(3)A' and 1(3)A'' states.
    Gogtas F, Tutuk R, Kurban M.
    J Comput Chem; 2010 Nov 15; 31(14):2607-11. PubMed ID: 20740560
    [Abstract] [Full Text] [Related]

  • 16. Cross sections and rate constants for OH + H2 reaction on three different potential energy surfaces for ro-vibrationally excited reagents.
    Bhattacharya S, Panda AN, Meyer HD.
    J Chem Phys; 2011 Nov 21; 135(19):194302. PubMed ID: 22112077
    [Abstract] [Full Text] [Related]

  • 17. Real wave packet and quasiclassical trajectory studies of the H+ + LiH reaction.
    Bulut N, Castillo JF, Aoiz FJ, Bañares L.
    Phys Chem Chem Phys; 2008 Feb 14; 10(6):821-7. PubMed ID: 18231684
    [Abstract] [Full Text] [Related]

  • 18. State-to-state quantum dynamics of the O(3P)+OH(2Pi)-->H(2S)+O2(3Sigma(g)-) reaction.
    Ma J, Lin SY, Guo H, Sun Z, Zhang DH, Xie D.
    J Chem Phys; 2010 Aug 07; 133(5):054302. PubMed ID: 20707527
    [Abstract] [Full Text] [Related]

  • 19. Time dependent wave packet and statistical calculations on the H + O(2) reaction.
    Bargueño P, González-Lezana T, Larrégaray P, Bonnet L, Claude Rayez J.
    Phys Chem Chem Phys; 2007 Mar 07; 9(9):1127-37. PubMed ID: 17311155
    [Abstract] [Full Text] [Related]

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