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 *

166 related articles for article (PubMed ID: 16164278)

  • 1. Geometric constraints in semiclassical initial value representation calculations in Cartesian coordinates: accurate reduction in zero-point energy.
    Issack BB; Roy PN
    J Chem Phys; 2005 Aug; 123(8):084103. PubMed ID: 16164278
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Geometric constraints in semiclassical initial value representation calculations in Cartesian coordinates: excited states.
    Issack BB; Roy PN
    J Chem Phys; 2007 Jan; 126(2):024111. PubMed ID: 17228947
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Semiclassical initial value representation treatment of a hydrogen bonded complex of rigid water molecules from a single trajectory in Cartesian coordinates.
    Issack BB; Roy PN
    J Chem Phys; 2007 Oct; 127(14):144306. PubMed ID: 17935394
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A prefactor free semiclassical initial value series representation of the propagator.
    Zhang S; Pollak E
    J Chem Phys; 2004 Aug; 121(8):3384-92. PubMed ID: 15303901
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Quantum molecular dynamics of hydrogen bonded complexes of rigid molecules using the semiclassical initial value representation in Cartesian coordinates.
    Issack BB; Roy PN
    J Chem Phys; 2007 Aug; 127(5):054105. PubMed ID: 17688332
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Herman-Kluk semiclassical dynamics of molecular rotations in laser fields.
    Saha R; Ovchinnikov M
    J Chem Phys; 2007 Feb; 126(6):064312. PubMed ID: 17313220
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. First-principles semiclassical initial value representation molecular dynamics.
    Ceotto M; Atahan S; Shim S; Tantardini GF; Aspuru-Guzik A
    Phys Chem Chem Phys; 2009 May; 11(20):3861-7. PubMed ID: 19440613
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A Cartesian classical second-quantized many-electron Hamiltonian, for use with the semiclassical initial value representation.
    Li B; Miller WH
    J Chem Phys; 2012 Oct; 137(15):154107. PubMed ID: 23083148
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Semiclassical initial value treatment of correlation functions.
    Sklarz T; Kay KG
    J Chem Phys; 2004 Feb; 120(6):2606-17. PubMed ID: 15268404
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A diabatic representation including both valence nonadiabatic interactions and spin-orbit effects for reaction dynamics.
    Valero R; Truhlar DG
    J Phys Chem A; 2007 Sep; 111(35):8536-51. PubMed ID: 17691756
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Mixed semiclassical initial value representation time-averaging propagator for spectroscopic calculations.
    Buchholz M; Grossmann F; Ceotto M
    J Chem Phys; 2016 Mar; 144(9):094102. PubMed ID: 26957152
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface.
    Wang Y; Braams BJ; Bowman JM; Carter S; Tew DP
    J Chem Phys; 2008 Jun; 128(22):224314. PubMed ID: 18554020
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Hybrid Prefactor Semiclassical Initial Value Series Representation of the Quantum Propagator.
    Zhang S; Pollak E
    J Chem Theory Comput; 2005 May; 1(3):345-52. PubMed ID: 26641501
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Time-dependent importance sampling in semiclassical initial value representation calculations for time correlation functions.
    Tao G; Miller WH
    J Chem Phys; 2011 Jul; 135(2):024104. PubMed ID: 21766922
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Semiclassical initial value calculations of the collinear helium atom.
    Harabati C; Kay KG
    J Chem Phys; 2007 Aug; 127(8):084104. PubMed ID: 17764226
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Direct dynamics simulations using Hessian-based predictor-corrector integration algorithms.
    Lourderaj U; Song K; Windus TL; Zhuang Y; Hase WL
    J Chem Phys; 2007 Jan; 126(4):044105. PubMed ID: 17286460
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Herman-Kluk semiclassical dynamics in action-angle representation: new approaches to mapping quantum degrees of freedom.
    Saha R; Ovchinnikov M
    J Chem Phys; 2006 May; 124(20):204112. PubMed ID: 16774324
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Accelerating flat-histogram methods for potential of mean force calculations.
    Janosi L; Doxastakis M
    J Chem Phys; 2009 Aug; 131(5):054105. PubMed ID: 19673549
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.