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 *

418 related articles for article (PubMed ID: 19655841)

  • 1. 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]  

  • 2. 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]  

  • 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. Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H + CH(4) <==> H(2) + CH(3).
    Banks ST; Clary DC
    J Chem Phys; 2009 Jan; 130(2):024106. PubMed ID: 19154018
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Theoretical rate constants and kinetic isotope effects in the reaction of methane with H, D, T, and Mu atoms.
    Espinosa-García J
    Phys Chem Chem Phys; 2008 Mar; 10(9):1277-84. PubMed ID: 18292862
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quantum dynamics of the H+CH4-->H2+CH3 reaction in curvilinear coordinates: full-dimensional and reduced dimensional calculations of reaction rates.
    Schiffel G; Manthe U
    J Chem Phys; 2010 Feb; 132(8):084103. PubMed ID: 20192286
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. A test of the continuous configuration time-dependent self-consistent field (CC-TDSCF) method on the H + CH4 reaction.
    Zhang L; Lee SY; Zhang DH
    J Phys Chem A; 2006 Apr; 110(16):5513-9. PubMed ID: 16623484
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 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. Quantum reactive scattering of H + hydrocarbon reactions.
    Kerkeni B; Clary DC
    Phys Chem Chem Phys; 2006 Feb; 8(8):917-25. PubMed ID: 16482334
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. 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]  

  • 15. Energetics and mechanisms of C-H bond activation by a doubly charged metal ion: guided ion beam and theoretical studies of Ta2+ + CH4.
    Parke LG; Hinton CS; Armentrout PB
    J Phys Chem A; 2008 Oct; 112(42):10469-80. PubMed ID: 18826293
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quasiclassical trajectory studies of the O(3P) + CX4(vk = 0, 1) → OXv + CX3(n1n2n3n4) [X = H and D] reactions on an ab initio potential energy surface.
    Czakó G; Liu R; Yang M; Bowman JM; Guo H
    J Phys Chem A; 2013 Aug; 117(30):6409-20. PubMed ID: 23808940
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Six-dimensional and seven-dimensional quantum dynamics study of the OH + CH4 → H2O + CH3 reaction.
    Song H; Lee SY; Yang M; Lu Y
    J Chem Phys; 2013 Oct; 139(15):154310. PubMed ID: 24160516
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry.
    Lasorne B; Sicilia F; Bearpark MJ; Robb MA; Worth GA; Blancafort L
    J Chem Phys; 2008 Mar; 128(12):124307. PubMed ID: 18376919
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Direct ab initio dynamics study of radical C4H (X̃2Σ+) + CH4 reaction.
    Huo RP; Zhang X; Huang XR; Li JL; Sun CC
    J Phys Chem A; 2011 Apr; 115(15):3576-82. PubMed ID: 21443216
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 21.