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 *

176 related articles for article (PubMed ID: 19425804)

  • 1. Bimolecular reaction rates from ring polymer molecular dynamics.
    Collepardo-Guevara R; Suleimanov YV; Manolopoulos DE
    J Chem Phys; 2009 May; 130(17):174713. PubMed ID: 19425804
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Ring-polymer molecular dynamics rate-theory in the deep-tunneling regime: Connection with semiclassical instanton theory.
    Richardson JO; Althorpe SC
    J Chem Phys; 2009 Dec; 131(21):214106. PubMed ID: 19968336
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A refined ring polymer molecular dynamics theory of chemical reaction rates.
    Craig IR; Manolopoulos DE
    J Chem Phys; 2005 Jul; 123(3):34102. PubMed ID: 16080725
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Chemical reaction rates from ring polymer molecular dynamics.
    Craig IR; Manolopoulos DE
    J Chem Phys; 2005 Feb; 122(8):84106. PubMed ID: 15836019
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction.
    Suleimanov YV; de Tudela RP; Jambrina PG; Castillo JF; Sáez-Rábanos V; Manolopoulos DE; Aoiz FJ
    Phys Chem Chem Phys; 2013 Mar; 15(10):3655-65. PubMed ID: 23385468
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quantum diffusion in liquid para-hydrogen from ring-polymer molecular dynamics.
    Miller TF; Manolopoulos DE
    J Chem Phys; 2005 May; 122(18):184503. PubMed ID: 15918725
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Efficient global representations of potential energy functions: trajectory calculations of bimolecular gas-phase reactions by multiconfiguration molecular mechanics.
    Tishchenko O; Truhlar DG
    J Chem Phys; 2009 Jan; 130(2):024105. PubMed ID: 19154017
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Proton transfer in a polar solvent from ring polymer reaction rate theory.
    Collepardo-Guevara R; Craig IR; Manolopoulos DE
    J Chem Phys; 2008 Apr; 128(14):144502. PubMed ID: 18412454
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Direct simulation of electron transfer using ring polymer molecular dynamics: comparison with semiclassical instanton theory and exact quantum methods.
    Menzeleev AR; Ananth N; Miller TF
    J Chem Phys; 2011 Aug; 135(7):074106. PubMed ID: 21861555
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Quantum mechanical correlation functions, maximum entropy analytic continuation, and ring polymer molecular dynamics.
    Habershon S; Braams BJ; Manolopoulos DE
    J Chem Phys; 2007 Nov; 127(17):174108. PubMed ID: 17994808
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Test of the quantum instanton approximation for thermal rate constants for some collinear reactions.
    Ceotto M; Miller WH
    J Chem Phys; 2004 Apr; 120(14):6356-62. PubMed ID: 15267524
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Which Is Better at Predicting Quantum-Tunneling Rates: Quantum Transition-State Theory or Free-Energy Instanton Theory?
    Zhang Y; Stecher T; Cvitaš MT; Althorpe SC
    J Phys Chem Lett; 2014 Nov; 5(22):3976-80. PubMed ID: 26276480
    [TBL] [Abstract][Full Text] [Related]  

  • 14. State-selected dynamics of the complex-forming bimolecular reaction Cl- +CH3 Cl'-->ClCH3+Cl'-: a four-dimensional quantum scattering study.
    Hennig C; Schmatz S
    J Chem Phys; 2004 Jul; 121(1):220-36. PubMed ID: 15260540
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Derivation of a true (t → 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossing.
    Althorpe SC; Hele TJ
    J Chem Phys; 2013 Aug; 139(8):084115. PubMed ID: 24006982
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantum transition state theory for the full three-dimensional H+H2 reaction.
    Zheng Y
    J Chem Phys; 2005 Mar; 122(9):094316. PubMed ID: 15836137
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Hybrid quantum/classical molecular dynamics for a proton transfer reaction coupled to a dissipative bath.
    Kim SY; Hammes-Schiffer S
    J Chem Phys; 2006 Jun; 124(24):244102. PubMed ID: 16821968
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Cold and ultracold chemical reactions of F+HCl and F+DCl.
    Quéméner G; Balakrishnan N
    J Chem Phys; 2008 Jun; 128(22):224304. PubMed ID: 18554010
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ring polymer molecular dynamics with surface hopping.
    Shushkov P; Li R; Tully JC
    J Chem Phys; 2012 Dec; 137(22):22A549. PubMed ID: 23249086
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Quantum rate coefficients and kinetic isotope effect for the reaction Cl + CH4 → HCl + CH3 from ring polymer molecular dynamics.
    Li Y; Suleimanov YV; Green WH; Guo H
    J Phys Chem A; 2014 Mar; 118(11):1989-96. PubMed ID: 24558961
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.