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2081 related items for PubMed ID: 19606328

  • 1. 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]

  • 2. Study of the C(3P) + OH(X2Pi) --> CO(X1Sigma(g)+) + H(2S) reaction: a fully global ab initio potential energy surface of the X2A' state.
    Zanchet A, Bussery-Honvault B, Honvault P.
    J Phys Chem A; 2006 Nov 02; 110(43):12017-25. PubMed ID: 17064191
    [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. Quasi-classical trajectory study of the S + OH → SO + H reaction: from reaction probability to thermal rate constant.
    Jorfi M, Honvault P.
    Phys Chem Chem Phys; 2011 May 14; 13(18):8414-21. PubMed ID: 21331406
    [Abstract] [Full Text] [Related]

  • 5. Inelastic scattering of the NCO(X2Pi) radical with the He atom on an ab initio potential energy surface.
    Kłos J, Toboła R, Chałasiński G.
    J Phys Chem A; 2009 Dec 31; 113(52):14480-7. PubMed ID: 19681624
    [Abstract] [Full Text] [Related]

  • 6. Cross sections and rate constants for the C(3P)+OH(X 2Pi)-->CO(X 1Sigma+)+H(2S) reaction using a quasiclassical trajectory method.
    Zanchet A, Halvick P, Rayez JC, Bussery-Honvault B, Honvault P.
    J Chem Phys; 2007 May 14; 126(18):184308. PubMed ID: 17508804
    [Abstract] [Full Text] [Related]

  • 7. Coupled-states statistical investigation of vibrational and rotational relaxation of OH(2pi) by collisions with atomic hydrogen.
    Atahan S, Alexander MH.
    J Phys Chem A; 2006 Apr 27; 110(16):5436-45. PubMed ID: 16623472
    [Abstract] [Full Text] [Related]

  • 8. Ab initio potential energy surfaces and nonadiabatic interactions in the H+ +NO collision system.
    Amaran S, Kumar S, Köppel H.
    J Chem Phys; 2008 Mar 28; 128(12):124305. PubMed ID: 18376917
    [Abstract] [Full Text] [Related]

  • 9. Cross sections and thermal rate constants for the isotope exchange reaction: D(2S)+OH(2Pi)-->OD(2Pi)+H(2S).
    Atahan S, Alexander MH, Rackham EJ.
    J Chem Phys; 2005 Nov 22; 123(20):204306. PubMed ID: 16351255
    [Abstract] [Full Text] [Related]

  • 10. A new mechanism for the production of highly vibrationally excited OH in the mesosphere: an ab initio study of the reactions of O2(A 3Sigmau+ and A' 3Deltau)+H.
    Liu J, Zhang P, Morokuma K, Sharma RD.
    J Chem Phys; 2005 Mar 08; 122(10):104315. PubMed ID: 15836323
    [Abstract] [Full Text] [Related]

  • 11. Interactions in open-shell clusters: ab initio study of pre-reactive complex O(3P) + HCl.
    Rode JE, Klos J, Rajchel L, Szczesniak MM, Chalasinski G, Buchachenko AA.
    J Phys Chem A; 2005 Dec 22; 109(50):11484-94. PubMed ID: 16354039
    [Abstract] [Full Text] [Related]

  • 12. 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]

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  • 14. 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]

  • 15. F-loss and H-loss dissociations in low-lying electronic states of the CH3F+ ion studied using multiconfiguration second-order perturbation theory.
    Xi HW, Huang MB, Chen BZ, Li WZ.
    J Phys Chem A; 2005 Oct 13; 109(40):9149-55. PubMed ID: 16332024
    [Abstract] [Full Text] [Related]

  • 16. Theoretical sensitivity of the C((3)P) + OH(X(2)Pi) --> CO(X(1)Sigma(+)) + H((2)S) rate constant: the role of the long-range potential.
    Jorfi M, Bussery-Honvault B, Honvault P, Stoecklin T, Larrégaray P, Halvick P.
    J Phys Chem A; 2010 Jul 22; 114(28):7494-9. PubMed ID: 20583797
    [Abstract] [Full Text] [Related]

  • 17. 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
    [Abstract] [Full Text] [Related]

  • 18. The effect of spin-orbit coupling on fast neutral chemical reaction O(3P)+CH3-->CH3O.
    Yagi K, Takayanagi T, Taketsugu T, Hirao K.
    J Chem Phys; 2004 Jun 08; 120(22):10395-403. PubMed ID: 15268067
    [Abstract] [Full Text] [Related]

  • 19. Evidence for excited spin-orbit state reaction dynamics in F+H2: theory and experiment.
    Lique F, Alexander MH, Li G, Werner HJ, Nizkorodov SA, Harper WW, Nesbitt DJ.
    J Chem Phys; 2008 Feb 28; 128(8):084313. PubMed ID: 18315052
    [Abstract] [Full Text] [Related]

  • 20. Potential energy surfaces and quasiclassical trajectory study of the O + H2(+)→ OH(+) + H, OH + H(+) proton and hydrogen atom transfer reactions and isotopic variants (D2(+), HD(+)).
    Paniagua M, Martínez R, Gamallo P, González M.
    Phys Chem Chem Phys; 2014 Nov 21; 16(43):23594-603. PubMed ID: 25127319
    [Abstract] [Full Text] [Related]

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