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452 related items for PubMed ID: 20725673

  • 1. Reaction dynamics of the D+ + H2 system. A comparison of theoretical approaches.
    Jambrina PG, Alvariño JM, Aoiz FJ, Herrero VJ, Sáez-Rábanos V.
    Phys Chem Chem Phys; 2010 Oct 21; 12(39):12591-603. PubMed ID: 20725673
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  • 4. Cumulative reaction probabilities: A comparison between quasiclassical and quantum mechanical results.
    Aoiz FJ, Brouard M, Eyles CJ, Castillo JF, Sáez Rábanos V.
    J Chem Phys; 2006 Oct 14; 125(14):144105. PubMed ID: 17042577
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  • 5. 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
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  • 6. An experimental and quasiclassical trajectory study of the rovibrationally state-selected reactions: HD+(v=0-15,j=1)+He-->HeH+(HeD+)+D(H).
    Tang XN, Houchins C, Xu HF, Ng CY, Chiu Y, Dressler RA, Levandier DJ.
    J Chem Phys; 2007 Jun 21; 126(23):234305. PubMed ID: 17600418
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  • 7. Quantum mechanical wave packet and quasiclassical trajectory calculations for the Li + H2(+) reaction.
    Bulut N, Castillo JF, Bañares L, Aoiz FJ.
    J Phys Chem A; 2009 Dec 31; 113(52):14657-63. PubMed ID: 19621933
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  • 8. Energy dependent dynamics of the O(1D) + HCl reaction: a quantum, quasiclassical and statistical study.
    Bargueño P, Jambrina PG, Alvariño JM, Menéndez M, Verdasco E, Hankel M, Smith SC, Aoiz FJ, González-Lezana T.
    Phys Chem Chem Phys; 2011 May 14; 13(18):8502-14. PubMed ID: 21431209
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  • 9. Dynamics of the D+ + H2 and H+ + D2 reactions: a detailed comparison between theory and experiment.
    Jambrina PG, Alvariño JM, Gerlich D, Hankel M, Herrero VJ, Sáez-Rábanos V, Aoiz FJ.
    Phys Chem Chem Phys; 2012 Mar 14; 14(10):3346-59. PubMed ID: 22297467
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  • 10. New results for the OH (nu = 0,j = 0) + CO (nu = 0,j = 0) --> H + CO2 reaction: Five- and full-dimensional quantum dynamical study on several potential energy surfaces.
    Valero R, McCormack DA, Kroes GJ.
    J Chem Phys; 2004 Mar 01; 120(9):4263-72. PubMed ID: 15268595
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  • 11. 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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  • 12. Rate coefficients from quantum and quasi-classical cumulative reaction probabilities for the S(1D) + H2 reaction.
    Jambrina PG, Lara M, Menéndez M, Launay JM, Aoiz FJ.
    J Chem Phys; 2012 Oct 28; 137(16):164314. PubMed ID: 23126717
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  • 13. Accurate time dependent wave packet calculations for the N + OH reaction.
    Bulut N, Roncero O, Jorfi M, Honvault P.
    J Chem Phys; 2011 Sep 14; 135(10):104307. PubMed ID: 21932893
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  • 14. 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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  • 15. Time-dependent wave packet quantum and quasi-classical trajectory study of He + H₂⁺, D₂⁺ → HeH⁺ + H, HeD⁺ + D reaction on an accurate FCI potential energy surface.
    Zhao J, Luo Y.
    J Phys Chem A; 2012 Mar 15; 116(10):2388-93. PubMed ID: 22352371
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  • 16. 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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  • 17. Quantum and classical studies of the O(3P) + H2(v = 0-3,j = 0) --> OH + H reaction using benchmark potential surfaces.
    Braunstein M, Adler-Golden S, Maiti B, Schatz GC.
    J Chem Phys; 2004 Mar 01; 120(9):4316-23. PubMed ID: 15268601
    [Abstract] [Full Text] [Related]

  • 18. On the role of dynamical barriers in barrierless reactions at low energies: S(1D) + H2.
    Lara M, Jambrina PG, Varandas AJ, Launay JM, Aoiz FJ.
    J Chem Phys; 2011 Oct 07; 135(13):134313. PubMed ID: 21992311
    [Abstract] [Full Text] [Related]

  • 19. Effect of the total angular momentum on the dynamics of the H2 + H2 system.
    Garcia E, Saracibar A, Sánchez C, Laganà A.
    J Phys Chem A; 2009 Dec 31; 113(52):14312-20. PubMed ID: 20028158
    [Abstract] [Full Text] [Related]

  • 20. The hydrogen abstraction reaction H + CH4. II. Theoretical investigation of the kinetics and dynamics.
    Espinosa-García J, Nyman G, Corchado JC.
    J Chem Phys; 2009 May 14; 130(18):184315. PubMed ID: 19449929
    [Abstract] [Full Text] [Related]

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