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 *

239 related articles for article (PubMed ID: 18647023)

  • 1. Single switch surface hopping for a model of pyrazine.
    Lasser C; Swart T
    J Chem Phys; 2008 Jul; 129(3):034302. PubMed ID: 18647023
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. 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]  

  • 4. Exploring the role of decoherence in condensed-phase nonadiabatic dynamics: a comparison of different mixed quantum/classical simulation algorithms for the excited hydrated electron.
    Larsen RE; Bedard-Hearn MJ; Schwartz BJ
    J Phys Chem B; 2006 Oct; 110(40):20055-66. PubMed ID: 17020394
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Single switch surface hopping for molecular dynamics with transitions.
    Fermanian Kammerer C; Lasser C
    J Chem Phys; 2008 Apr; 128(14):144102. PubMed ID: 18412418
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Simultaneous-trajectory surface hopping: a parameter-free algorithm for implementing decoherence in nonadiabatic dynamics.
    Shenvi N; Subotnik JE; Yang W
    J Chem Phys; 2011 Apr; 134(14):144102. PubMed ID: 21495737
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A justification for a nonadiabatic surface hopping Herman-Kluk semiclassical initial value representation of the time evolution operator.
    Wu Y; Herman MF
    J Chem Phys; 2006 Oct; 125(15):154116. PubMed ID: 17059248
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine.
    Xie W; Sapunar M; Došlić N; Sala M; Domcke W
    J Chem Phys; 2019 Apr; 150(15):154119. PubMed ID: 31005116
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Adiabatic and nonadiabatic dissociation of ethyl radical.
    Hostettler JM; Bach A; Chen P
    J Chem Phys; 2009 Jan; 130(3):034303. PubMed ID: 19173517
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Generalized trajectory surface hopping method based on the Zhu-Nakamura theory.
    Oloyede P; Mil'nikov G; Nakamura H
    J Chem Phys; 2006 Apr; 124(14):144110. PubMed ID: 16626183
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Fewest switches adiabatic surface hopping as applied to vibrational energy relaxation.
    Käb G
    J Phys Chem A; 2006 Mar; 110(9):3197-215. PubMed ID: 16509644
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Nonadiabatic excited-state molecular dynamics: numerical tests of convergence and parameters.
    Nelson T; Fernandez-Alberti S; Chernyak V; Roitberg AE; Tretiak S
    J Chem Phys; 2012 Feb; 136(5):054108. PubMed ID: 22320726
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Non-adiabatic dynamics around a conical intersection with surface-hopping coupled coherent states.
    Humeniuk A; Mitrić R
    J Chem Phys; 2016 Jun; 144(23):234108. PubMed ID: 27334155
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Algorithmic decoherence time for decay-of-mixing non-Born-Oppenheimer dynamics.
    Cheng SC; Zhu C; Liang KK; Lin SH; Truhlar DG
    J Chem Phys; 2008 Jul; 129(2):024112. PubMed ID: 18624521
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Phase-corrected surface hopping: correcting the phase evolution of the electronic wavefunction.
    Shenvi N; Subotnik JE; Yang W
    J Chem Phys; 2011 Jul; 135(2):024101. PubMed ID: 21766919
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A new approach to decoherence and momentum rescaling in the surface hopping algorithm.
    Subotnik JE; Shenvi N
    J Chem Phys; 2011 Jan; 134(2):024105. PubMed ID: 21241078
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Matching-pursuit/split-operator-Fourier-transform simulations of excited-state nonadiabatic quantum dynamics in pyrazine.
    Chen X; Batista VS
    J Chem Phys; 2006 Sep; 125(12):124313. PubMed ID: 17014180
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. A singularity free surface hopping expansion for the multistate wave function.
    Herman MF
    J Chem Phys; 2009 Dec; 131(21):214108. PubMed ID: 19968338
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.