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233 related items for PubMed ID: 19371121

  • 1. Application of interpolating moving least squares fitting to hypervelocity collision dynamics: O(3P) + HCl.
    Camden JP, Dawes R, Thompson DL.
    J Phys Chem A; 2009 Apr 23; 113(16):4626-30. PubMed ID: 19371121
    [Abstract] [Full Text] [Related]

  • 2. Interpolating moving least-squares methods for fitting potential energy surfaces: an application to the H2CN unimolecular reaction.
    Guo Y, Harding LB, Wagner AF, Minkoff M, Thompson DL.
    J Chem Phys; 2007 Mar 14; 126(10):104105. PubMed ID: 17362059
    [Abstract] [Full Text] [Related]

  • 3. Collision energy dependence of the O(1D) + HCl --> OH + Cl(2P) reaction studied by crossed beam scattering and quasiclassical trajectory calculations on ab initio potential energy surfaces.
    Kohguchi H, Suzuki T, Nanbu S, Ishida T, Mil'nikov GV, Oloyede P, Nakamura H.
    J Phys Chem A; 2008 Feb 07; 112(5):818-25. PubMed ID: 18189375
    [Abstract] [Full Text] [Related]

  • 4. Direct dynamics simulations of O(3P) + HCl at hyperthermal collision energies.
    Camden JP, Schatz GC.
    J Phys Chem A; 2006 Dec 28; 110(51):13681-5. PubMed ID: 17181321
    [Abstract] [Full Text] [Related]

  • 5. Interpolating moving least-squares methods for fitting potential energy surfaces: using classical trajectories to explore configuration space.
    Dawes R, Passalacqua A, Wagner AF, Sewell TD, Minkoff M, Thompson DL.
    J Chem Phys; 2009 Apr 14; 130(14):144107. PubMed ID: 19368429
    [Abstract] [Full Text] [Related]

  • 6. Dynamics of energy transfer in collisions of O(3P) atoms with a 1-decanethiol self-assembled monolayer surface.
    Tasić US, Yan T, Hase WL.
    J Phys Chem B; 2006 Jun 22; 110(24):11863-77. PubMed ID: 16800489
    [Abstract] [Full Text] [Related]

  • 7. O(3P) + CO2 collisions at hyperthermal energies: dynamics of nonreactive scattering, oxygen isotope exchange, and oxygen-atom abstraction.
    Yeung LY, Okumura M, Zhang J, Minton TK, Paci JT, Karton A, Martin JM, Camden JP, Schatz GC.
    J Phys Chem A; 2012 Jan 12; 116(1):64-84. PubMed ID: 22185296
    [Abstract] [Full Text] [Related]

  • 8. Ab initio and dynamics study of the O(3P) + NH3 and O(3P) + N2H4 reactions at hyperthermal collision energies.
    Troya D, Mosch M, O'Neill KA.
    J Phys Chem A; 2009 Dec 17; 113(50):13863-70. PubMed ID: 19886614
    [Abstract] [Full Text] [Related]

  • 9. An ab initio potential surface describing abstraction and exchange for H+CH4.
    Zhang X, Braams BJ, Bowman JM.
    J Chem Phys; 2006 Jan 14; 124(2):021104. PubMed ID: 16422563
    [Abstract] [Full Text] [Related]

  • 10. Interpolating moving least-squares methods for fitting potential energy surfaces: computing high-density potential energy surface data from low-density ab initio data points.
    Dawes R, Thompson DL, Guo Y, Wagner AF, Minkoff M.
    J Chem Phys; 2007 May 14; 126(18):184108. PubMed ID: 17508793
    [Abstract] [Full Text] [Related]

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

  • 12. Potential energy surface and quantum dynamics study of rovibrational states for HO(3) (X (2)A'').
    Braams BJ, Yu HG.
    Phys Chem Chem Phys; 2008 Jun 07; 10(21):3150-5. PubMed ID: 18688380
    [Abstract] [Full Text] [Related]

  • 13. Ab initio and direct quasiclassical-trajectory study of the Cl + CH4-->HCl + CH3 reaction.
    Troya D, Weiss PJ.
    J Chem Phys; 2006 Feb 21; 124(7):74313. PubMed ID: 16497042
    [Abstract] [Full Text] [Related]

  • 14. Classical trajectory study of the dynamics of the reaction of Cl atoms with ethane.
    Greaves SJ, Orr-Ewing AJ, Troya D.
    J Phys Chem A; 2008 Oct 02; 112(39):9387-95. PubMed ID: 18636702
    [Abstract] [Full Text] [Related]

  • 15. Quantum and quasiclassical studies of the O(3P)+HCl-->OH+Cl(2P) reaction using benchmark potential surfaces.
    Xie T, Bowman J, Duff JW, Braunstein M, Ramachandran B.
    J Chem Phys; 2005 Jan 01; 122(1):14301. PubMed ID: 15638653
    [Abstract] [Full Text] [Related]

  • 16. 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
    [Abstract] [Full Text] [Related]

  • 17. Direct versus resonances mediated F+OH collisions on a new 3A" potential energy surface.
    Gómez-Carrasco S, González-Snchez L, Aguado A, Roncero O, Alvariño JM, Hernández ML, Paniagua M.
    J Chem Phys; 2004 Sep 08; 121(10):4605-18. PubMed ID: 15332891
    [Abstract] [Full Text] [Related]

  • 18. Quasiclassical trajectory study of the O(3P) + CH4 --> OH + CH3 reaction with a specific reaction parameters semiempirical Hamiltonian.
    Troya D, García-Molina E.
    J Phys Chem A; 2005 Apr 07; 109(13):3015-23. PubMed ID: 16833625
    [Abstract] [Full Text] [Related]

  • 19. Theoretical study of the dynamics of Cl + O3 reaction I. Ab initio potential energy surface and quasiclassical trajectory results.
    Castillo JF, Aoiz FJ, Martínez-Haya B.
    Phys Chem Chem Phys; 2011 May 14; 13(18):8537-48. PubMed ID: 21437293
    [Abstract] [Full Text] [Related]

  • 20. Interpolating moving least-squares methods for fitting potential energy surfaces: applications to classical dynamics calculations.
    Guo Y, Kawano A, Thompson DL, Wagner AF, Minkoff M.
    J Chem Phys; 2004 Sep 15; 121(11):5091-7. PubMed ID: 15352800
    [Abstract] [Full Text] [Related]

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