These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

463 related articles for article (PubMed ID: 15268462)

  • 21. Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: applications to condensed phase systems.
    Liu J; Miller WH
    J Chem Phys; 2007 Sep; 127(11):114506. PubMed ID: 17887856
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Quantum instanton calculation of rate constants for the C2H6 + H → C2H5 + H2 reaction: anharmonicity and kinetic isotope effects.
    Wang W; Zhao Y
    Phys Chem Chem Phys; 2011 Nov; 13(43):19362-70. PubMed ID: 21960019
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Accurate vibrational-rotational partition functions and standard-state free energy values for H2O2 from Monte Carlo path-integral calculations.
    Lynch VA; Mielke SL; Truhlar DG
    J Chem Phys; 2004 Sep; 121(11):5148-62. PubMed ID: 15352807
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Potential energy surface, kinetics, and dynamics study of the Cl+CH4-->HCl+CH3 reaction.
    Rangel C; Navarrete M; Corchado JC; Espinosa-García J
    J Chem Phys; 2006 Mar; 124(12):124306. PubMed ID: 16599673
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Potential energy surface for the F(2P(3/2),2P(1/2)) + CH4 hydrogen abstraction reaction. kinetics and dynamics study.
    Rángel C; Navarrete M; Espinosa-García J
    J Phys Chem A; 2005 Feb; 109(7):1441-8. PubMed ID: 16833462
    [TBL] [Abstract][Full Text] [Related]  

  • 26. 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; 130(18):184314. PubMed ID: 19449928
    [TBL] [Abstract][Full Text] [Related]  

  • 27. First-principles theory for the H + CH4 --> H2 + CH3 reaction.
    Wu T; Werner HJ; Manthe U
    Science; 2004 Dec; 306(5705):2227-9. PubMed ID: 15618512
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Full dimensional time-dependent quantum dynamics study of the H + NH3 --> H2 + NH2 reaction.
    Yang M
    J Chem Phys; 2008 Aug; 129(6):064315. PubMed ID: 18715077
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Semiclassical calculation of nonadiabatic thermal rate constants: application to condensed phase reactions.
    Zhao Y; Li X; Zheng Z; Liang W
    J Chem Phys; 2006 Mar; 124(11):114508. PubMed ID: 16555902
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Accelerating quantum instanton calculations of the kinetic isotope effects.
    Karandashev K; Vaníček J
    J Chem Phys; 2015 Nov; 143(19):194104. PubMed ID: 26590524
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Rate constants from the reaction path Hamiltonian. II. Nonseparable semiclassical transition state theory.
    Peters B; Bell AT; Chakraborty A
    J Chem Phys; 2004 Sep; 121(10):4461-6. PubMed ID: 15332875
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: the importance of zero-point-energy effects.
    Marques JM; Martínez-Núñez E; Fernandez-Ramos A; Vazquez SA
    J Phys Chem A; 2005 Jun; 109(24):5415-23. PubMed ID: 16839068
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Ab initio rate constants from hyperspherical quantum scattering: application to H + CH4 --> H2 + CH3.
    Kerkeni B; Clary DC
    J Chem Phys; 2004 Feb; 120(5):2308-18. PubMed ID: 15268369
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Including anharmonicity in the calculation of rate constants. II. The OH+H2-->H2O+H reaction.
    Isaacson AD
    J Chem Phys; 2008 Apr; 128(13):134304. PubMed ID: 18397061
    [TBL] [Abstract][Full Text] [Related]  

  • 35. On the derivation of semiclassical expressions for quantum reaction rate constants in multidimensional systems.
    Kryvohuz M
    J Chem Phys; 2013 Jun; 138(24):244114. PubMed ID: 23822234
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Theoretical study of the dynamics of the H+CH4 and H+C2H6 reactions using a specific-reaction-parameter semiempirical Hamiltonian.
    Layfield JP; Owens MD; Troya D
    J Chem Phys; 2008 May; 128(19):194302. PubMed ID: 18500860
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Importance of anharmonicity, recrossing effects, and quantum mechanical tunneling in transition state theory with semiclassical tunneling. A test case: the H2 + Cl hydrogen abstraction reaction.
    Sansón JA; Sánchez ML; Corchado JC
    J Phys Chem A; 2006 Jan; 110(2):589-99. PubMed ID: 16405331
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Quantum instanton evaluations of surface diffusion, interior migration, and surface-subsurface transport for H/Ni.
    Wang W; Zhao Y
    J Chem Phys; 2010 Feb; 132(6):064502. PubMed ID: 20151746
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Accurate quantum calculations of the reaction rates for H/D+CH4.
    van Harrevelt R; Nyman G; Manthe U
    J Chem Phys; 2007 Feb; 126(8):084303. PubMed ID: 17343444
    [TBL] [Abstract][Full Text] [Related]  

  • 40. An efficient route to thermal rate constants in reduced dimensional quantum scattering simulations: applications to the abstraction of hydrogen from alkanes.
    von Horsten HF; Banks ST; Clary DC
    J Chem Phys; 2011 Sep; 135(9):094311. PubMed ID: 21913767
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 24.