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 *

330 related articles for article (PubMed ID: 25106573)

  • 21. Multiconfigurational Ehrenfest approach to quantum coherent dynamics in large molecular systems.
    Shalashilin DV
    Faraday Discuss; 2011; 153():105-16; discussion 189-212. PubMed ID: 22452076
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Nonadiabatic hybrid quantum and molecular mechanic simulations of azobenzene photoswitching in bulk liquid environment.
    Böckmann M; Doltsinis NL; Marx D
    J Phys Chem A; 2010 Jan; 114(2):745-54. PubMed ID: 19928885
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Quantum fluctuation of electronic wave-packet dynamics coupled with classical nuclear motions.
    Amano M; Takatsuka K
    J Chem Phys; 2005 Feb; 122(8):84113. PubMed ID: 15836026
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Reaction path potential for complex systems derived from combined ab initio quantum mechanical and molecular mechanical calculations.
    Lu Z; Yang W
    J Chem Phys; 2004 Jul; 121(1):89-100. PubMed ID: 15260525
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Nonadiabatic ab initio dynamics of two models of Schiff base retinal.
    Ishida T; Nanbu S; Nakamura H
    J Phys Chem A; 2009 Apr; 113(16):4356-66. PubMed ID: 19298071
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Ab initio based calculations of electron-transfer rates in metalloproteins.
    Prytkova TR; Kurnikov IV; Beratan DN
    J Phys Chem B; 2005 Feb; 109(4):1618-25. PubMed ID: 16851133
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Ab initio Ehrenfest dynamics.
    Li X; Tully JC; Schlegel HB; Frisch MJ
    J Chem Phys; 2005 Aug; 123(8):084106. PubMed ID: 16164281
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules.
    Nelson T; Fernandez-Alberti S; Chernyak V; Roitberg AE; Tretiak S
    J Phys Chem B; 2011 May; 115(18):5402-14. PubMed ID: 21218841
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Improving long time behavior of Poisson bracket mapping equation: a non-Hamiltonian approach.
    Kim HW; Rhee YM
    J Chem Phys; 2014 May; 140(18):184106. PubMed ID: 24832252
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Extending the Applicability of the Multiple-Spawning Framework for Nonadiabatic Molecular Dynamics.
    Lassmann Y; Hollas D; Curchod BFE
    J Phys Chem Lett; 2022 Dec; 13(51):12011-12018. PubMed ID: 36541684
    [No Abstract]   [Full Text] [Related]  

  • 31. The electronic nonadiabatic coupling term: can it be ignored in dynamic calculations?
    Halász GJ; Vibók A; Suhai S; Baer M
    J Chem Phys; 2007 Dec; 127(24):244101. PubMed ID: 18163664
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Parallel iterative reaction path optimization in ab initio quantum mechanical/molecular mechanical modeling of enzyme reactions.
    Liu H; Lu Z; Cisneros GA; Yang W
    J Chem Phys; 2004 Jul; 121(2):697-706. PubMed ID: 15260596
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Generalized Ab Initio Nonadiabatic Dynamics Simulation Methods from Molecular to Extended Systems.
    Xie BB; Jia PK; Wang KX; Chen WK; Liu XY; Cui G
    J Phys Chem A; 2022 Mar; 126(11):1789-1804. PubMed ID: 35266391
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Ab initio multiple spawning dynamics of excited butadiene: role of charge transfer.
    Levine BG; Martínez TJ
    J Phys Chem A; 2009 Nov; 113(46):12815-24. PubMed ID: 19813720
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Ab initio multiple spawning dynamics using multi-state second-order perturbation theory.
    Tao H; Levine BG; Martínez TJ
    J Phys Chem A; 2009 Dec; 113(49):13656-62. PubMed ID: 19888736
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Electronically nonadiabatic wave packet propagation using frozen Gaussian scattering.
    Kondorskiy AD; Nanbu S
    J Chem Phys; 2015 Sep; 143(11):114103. PubMed ID: 26395683
    [TBL] [Abstract][Full Text] [Related]  

  • 37. A walk through the approximations of ab initio multiple spawning.
    Mignolet B; Curchod BFE
    J Chem Phys; 2018 Apr; 148(13):134110. PubMed ID: 29626896
    [TBL] [Abstract][Full Text] [Related]  

  • 38. 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]  

  • 39. Nonadiabatic ab initio dynamics of a model protonated Schiff base of 9-cis retinal.
    Chung WC; Nanbu S; Ishida T
    J Phys Chem A; 2010 Aug; 114(32):8190-201. PubMed ID: 20666503
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Augmented Ehrenfest dynamics yields a rate for surface hopping.
    Subotnik JE
    J Chem Phys; 2010 Apr; 132(13):134112. PubMed ID: 20387926
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 17.