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 *

200 related articles for article (PubMed ID: 15618512)

  • 1. 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]  

  • 2. Thermochemistry and accurate quantum reaction rate calculations for H2/HD/D2 + CH3.
    Nyman G; van Harrevelt R; Manthe U
    J Phys Chem A; 2007 Oct; 111(41):10331-7. PubMed ID: 17547382
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Reduced dimensionality quantum dynamics of CH3 + CH4 --> CH4 + CH3: symmetric hydrogen exchange on an Ab initio potential.
    Remmert SM; Banks ST; Clary DC
    J Phys Chem A; 2009 Apr; 113(16):4255-64. PubMed ID: 19254017
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Comparison of quantum dynamics and quantum transition state theory estimates of the H + CH4 reaction rate.
    Andersson S; Nyman G; Arnaldsson A; Manthe U; Jónsson H
    J Phys Chem A; 2009 Apr; 113(16):4468-78. PubMed ID: 19275158
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Path integral calculation of thermal rate constants within the quantum instanton approximation: application to the H + CH4 --> H2 + CH3 hydrogen abstraction reaction in full Cartesian space.
    Zhao Y; Yamamoto T; Miller WH
    J Chem Phys; 2004 Feb; 120(7):3100-7. PubMed ID: 15268462
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Bimolecular reaction rates from ring polymer molecular dynamics: application to H + CH4 → H2 + CH3.
    Suleimanov YV; Collepardo-Guevara R; Manolopoulos DE
    J Chem Phys; 2011 Jan; 134(4):044131. PubMed ID: 21280711
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. An improved treatment of spectator mode vibrations in reduced dimensional quantum dynamics: application to the hydrogen abstraction reactions mu + CH4, H + CH4, D + CH4, and CH3 + CH4.
    Banks ST; Tautermann CS; Remmert SM; Clary DC
    J Chem Phys; 2009 Jul; 131(4):044111. PubMed ID: 19655841
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio potential energy surface and quantum dynamics for the H + CH4 → H2 + CH3 reaction.
    Zhou Y; Fu B; Wang C; Collins MA; Zhang DH
    J Chem Phys; 2011 Feb; 134(6):064323. PubMed ID: 21322696
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Theoretical calculations of CH4 and H2 associative desorption from Ni(111): could subsurface hydrogen play an important role?
    Henkelman G; Arnaldsson A; Jónsson H
    J Chem Phys; 2006 Jan; 124(4):044706. PubMed ID: 16460199
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Reduced dimensionality quantum dynamics of Cl + CH4 --> HCl + CH3 on an ab initio potential.
    Banks ST; Clary DC
    Phys Chem Chem Phys; 2007 Feb; 9(8):933-43. PubMed ID: 17301883
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Computational study of the ion-molecule reactions involving fluxional cations: CH4+ + H2--> CH5+ + H and isotope effect.
    Wang B; Hou H
    J Phys Chem A; 2005 Sep; 109(38):8537-47. PubMed ID: 16834251
    [TBL] [Abstract][Full Text] [Related]  

  • 16. New analytical potential energy surface for the F(2P)+CH4 hydrogen abstraction reaction: kinetics and dynamics.
    Espinosa-García J; Bravo JL; Rangel C
    J Phys Chem A; 2007 Apr; 111(14):2761-71. PubMed ID: 17388340
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics.
    Li Y; Suleimanov YV; Li J; Green WH; Guo H
    J Chem Phys; 2013 Mar; 138(9):094307. PubMed ID: 23485294
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Kinetics and dynamics of the NH3 + H → NH2 + H2 reaction using transition state methods, quasi-classical trajectories, and quantum-mechanical scattering.
    Corchado JC; Espinosa-Garcia J; Yang M
    J Chem Phys; 2011 Jul; 135(1):014303. PubMed ID: 21744898
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Collisional energy transfer in unimolecular reactions: direct classical trajectories for CH4 <--> CH3 + H in helium.
    Jasper AW; Miller JA
    J Phys Chem A; 2009 May; 113(19):5612-9. PubMed ID: 19419224
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.