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 *

221 related articles for article (PubMed ID: 26270840)

  • 1. Ring-Polymer Molecular Dynamics Rate Coefficient Calculations for Insertion Reactions: X + H2 → HX + H (X = N, O).
    Li Y; Suleimanov YV; Guo H
    J Phys Chem Lett; 2014 Feb; 5(4):700-5. PubMed ID: 26270840
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ring-polymer molecular dynamics: rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2) → HX + H(X = C(1D), S(1D)).
    Suleimanov YV; Kong WJ; Guo H; Green WH
    J Chem Phys; 2014 Dec; 141(24):244103. PubMed ID: 25554129
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O((3)P) + CH4 → OH + CH3 Reaction: Contributions of Quantum Effects.
    Li Y; Suleimanov YV; Yang M; Green WH; Guo H
    J Phys Chem Lett; 2013 Jan; 4(1):48-52. PubMed ID: 26291210
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Chemical Reaction Rates from Ring Polymer Molecular Dynamics: Zero Point Energy Conservation in Mu + H2 → MuH + H.
    Pérez de Tudela R; Aoiz FJ; Suleimanov YV; Manolopoulos DE
    J Phys Chem Lett; 2012 Feb; 3(4):493-7. PubMed ID: 26286053
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. 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]  

  • 7. 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]  

  • 8. Communication: full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 → CH3 + H2O.
    Allen JW; Green WH; Li Y; Guo H; Suleimanov YV
    J Chem Phys; 2013 Jun; 138(22):221103. PubMed ID: 23781774
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Communication: Rate coefficients of the H + CH4 → H2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface.
    Meng Q; Chen J; Zhang DH
    J Chem Phys; 2015 Sep; 143(10):101102. PubMed ID: 26373990
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Automated calculation of thermal rate coefficients using ring polymer molecular dynamics and machine-learning interatomic potentials with active learning.
    Novikov IS; Suleimanov YV; Shapeev AV
    Phys Chem Chem Phys; 2018 Nov; 20(46):29503-29512. PubMed ID: 30457606
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Recrossing and Tunneling in the Kinetics Study of the OH + CH4 → H2O + CH3 Reaction.
    Suleimanov YV; Espinosa-Garcia J
    J Phys Chem B; 2016 Mar; 120(8):1418-28. PubMed ID: 25853403
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ring polymer molecular dynamics and active learning of moment tensor potential for gas-phase barrierless reactions: Application to S + H
    Novikov IS; Shapeev AV; Suleimanov YV
    J Chem Phys; 2019 Dec; 151(22):224105. PubMed ID: 31837691
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Theoretical kinetics study of the O(³P) + CH₄/CD₄ hydrogen abstraction reaction: the role of anharmonicity, recrossing effects, and quantum mechanical tunneling.
    Gonzalez-Lavado E; Corchado JC; Suleimanov YV; Green WH; Espinosa-Garcia J
    J Phys Chem A; 2014 May; 118(18):3243-52. PubMed ID: 24749673
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A ring polymer molecular dynamics study of the Cl + O3 reaction.
    de Tudela RP; Suleimanov YV; Menéndez M; Castillo JF; Aoiz FJ
    Phys Chem Chem Phys; 2014 Feb; 16(7):2920-7. PubMed ID: 24424851
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Accurate Determination of Tunneling-Affected Rate Coefficients: Theory Assessing Experiment.
    Zuo J; Xie C; Guo H; Xie D
    J Phys Chem Lett; 2017 Jul; 8(14):3392-3397. PubMed ID: 28685568
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A ring polymer molecular dynamics study of the OH + H
    Castillo JF; Suleimanov YV
    Phys Chem Chem Phys; 2017 Nov; 19(43):29170-29176. PubMed ID: 29067371
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Reactions dynamics for X + H2 insertion reactions (X = C(1D), N(2D), O(1D), S(1D)) with Cayley propagator ring-polymer molecular dynamics.
    Jiang W; Chen Y; Li Y
    J Chem Phys; 2024 Jun; 160(23):. PubMed ID: 38899683
    [TBL] [Abstract][Full Text] [Related]  

  • 19. New Stress Test for Ring Polymer Molecular Dynamics: Rate Coefficients of the O(
    Menéndez M; Jambrina PG; Zanchet A; Verdasco E; Suleimanov YV; Aoiz FJ
    J Phys Chem A; 2019 Sep; 123(37):7920-7931. PubMed ID: 31461272
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Stress Test for Quantum Dynamics Approximations: Deep Tunneling in the Muonium Exchange Reaction D + HMu → DMu + H.
    Pérez de Tudela R; Suleimanov YV; Richardson JO; Sáez Rábanos V; Green WH; Aoiz FJ
    J Phys Chem Lett; 2014 Dec; 5(23):4219-24. PubMed ID: 26278957
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.