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 *

271 related articles for article (PubMed ID: 15268520)

  • 1. Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method.
    Nangia S; Jasper AW; Miller TF; Truhlar DG
    J Chem Phys; 2004 Feb; 120(8):3586-97. PubMed ID: 15268520
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Erratum: "Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method" [J. Chem. Phys. 120, 3586 (2004)].
    Nangia S; Jasper AW; Miller TF; Truhlar DG
    J Chem Phys; 2016 Apr; 144(13):139901. PubMed ID: 27059592
    [No Abstract]   [Full Text] [Related]  

  • 3. Including Tunneling in Non-Born-Oppenheimer Simulations.
    Zheng J; Meana-Pañeda R; Truhlar DG
    J Phys Chem Lett; 2014 Jun; 5(11):2039-43. PubMed ID: 26273892
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Conical intersections and semiclassical trajectories: comparison to accurate quantum dynamics and analyses of the trajectories.
    Jasper AW; Truhlar DG
    J Chem Phys; 2005 Jan; 122(4):44101. PubMed ID: 15740229
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Coherent switching with decay of mixing: an improved treatment of electronic coherence for non-Born-Oppenheimer trajectories.
    Zhu C; Nangia S; Jasper AW; Truhlar DG
    J Chem Phys; 2004 Oct; 121(16):7658-70. PubMed ID: 15485225
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Numerical study of the accuracy and efficiency of various approaches for Monte Carlo surface hopping calculations.
    Herman MF; Moody MP
    J Chem Phys; 2005 Mar; 122(9):094104. PubMed ID: 15836109
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Self-Consistent Filtering Scheme for Efficient Calculations of Observables via the Mixed Quantum-Classical Liouville Approach.
    Dell'Angelo D; Hanna G
    J Chem Theory Comput; 2016 Feb; 12(2):477-85. PubMed ID: 26731044
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Trajectory-based nonadiabatic molecular dynamics without calculating nonadiabatic coupling in the avoided crossing case: trans↔cis photoisomerization in azobenzene.
    Yu L; Xu C; Lei Y; Zhu C; Wen Z
    Phys Chem Chem Phys; 2014 Dec; 16(47):25883-95. PubMed ID: 25354307
    [TBL] [Abstract][Full Text] [Related]  

  • 9. On the properties of a primitive semiclassical surface hopping propagator for nonadiabatic quantum dynamics.
    Wu Y; Herman MF
    J Chem Phys; 2007 Jul; 127(4):044109. PubMed ID: 17672683
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Nonadiabatic surface hopping Herman-Kluk semiclassical initial value representation method revisited: applications to Tully's three model systems.
    Wu Y; Herman MF
    J Chem Phys; 2005 Oct; 123(14):144106. PubMed ID: 16238373
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Introductory lecture: nonadiabatic effects in chemical dynamics.
    Jasper AW; Zhu C; Nangia S; Truhlar DG
    Faraday Discuss; 2004; 127():1-22. PubMed ID: 15471336
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Benchmark Performance of Global Switching versus Local Switching for Trajectory Surface Hopping Molecular Dynamics Simulation: Cis↔Trans Azobenzene Photoisomerization.
    Yue L; Yu L; Xu C; Lei Y; Liu Y; Zhu C
    Chemphyschem; 2017 May; 18(10):1274-1287. PubMed ID: 28213950
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Trotter-based simulation of quantum-classical dynamics.
    Kernan DM; Ciccotti G; Kapral R
    J Phys Chem B; 2008 Jan; 112(2):424-32. PubMed ID: 18154283
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Semiclassical Monte Carlo: a first principles approach to non-adiabatic molecular dynamics.
    White AJ; Gorshkov VN; Wang R; Tretiak S; Mozyrsky D
    J Chem Phys; 2014 Nov; 141(18):184101. PubMed ID: 25399126
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Surface hopping with cumulative probabilities: Even sampling and improved reproducibility.
    Parker SM; Schiltz CJ
    J Chem Phys; 2020 Nov; 153(17):174109. PubMed ID: 33167640
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Probing the π→π* photoisomerization mechanism of cis-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulation.
    Yu L; Xu C; Zhu C
    Phys Chem Chem Phys; 2015 Jul; 17(27):17646-60. PubMed ID: 26081715
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Nonadiabatic Forward Flux Sampling for Excited-State Rare Events.
    Reiner MM; Bachmair B; Tiefenbacher MX; Mai S; González L; Marquetand P; Dellago C
    J Chem Theory Comput; 2023 Mar; 19(6):1657-1671. PubMed ID: 36856706
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Dynamics of nonadiabatic chemical reactions.
    Nakamura H
    J Phys Chem A; 2006 Sep; 110(38):10929-46. PubMed ID: 16986826
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Critical appraisal of the fewest switches algorithm for surface hopping.
    Granucci G; Persico M
    J Chem Phys; 2007 Apr; 126(13):134114. PubMed ID: 17430023
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ab initio molecular dynamics of hydrogen dissociation on metal surfaces using neural networks and novelty sampling.
    Ludwig J; Vlachos DG
    J Chem Phys; 2007 Oct; 127(15):154716. PubMed ID: 17949200
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.