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 *

190 related articles for article (PubMed ID: 26590527)

  • 1. Ab initio implementation of quantum trajectory mean-field approach and dynamical simulation of the N2CO photodissociation.
    Xie B; Liu L; Cui G; Fang WH; Cao J; Feng W; Li XQ
    J Chem Phys; 2015 Nov; 143(19):194107. PubMed ID: 26590527
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Multiple-State Nonadiabatic Dynamics Simulation of Photoisomerization of Acetylacetone with the Direct ab Initio QTMF Approach.
    Xie B; Cui G; Fang WH
    J Chem Theory Comput; 2017 Jun; 13(6):2717-2729. PubMed ID: 28437107
    [TBL] [Abstract][Full Text] [Related]  

  • 3. New insights into photodissociation dynamics of cyclobutanone from the AIMS dynamic simulation.
    Liu L; Fang WH
    J Chem Phys; 2016 Apr; 144(14):144317. PubMed ID: 27083731
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Generalized trajectory surface-hopping method for internal conversion and intersystem crossing.
    Cui G; Thiel W
    J Chem Phys; 2014 Sep; 141(12):124101. PubMed ID: 25273406
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. 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]  

  • 7. Regarding the validity of the time-dependent Kohn-Sham approach for electron-nuclear dynamics via trajectory surface hopping.
    Fischer SA; Habenicht BF; Madrid AB; Duncan WR; Prezhdo OV
    J Chem Phys; 2011 Jan; 134(2):024102. PubMed ID: 21241075
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Nonadiabatic Molecular Dynamics for Thousand Atom Systems: A Tight-Binding Approach toward PYXAID.
    Pal S; Trivedi DJ; Akimov AV; Aradi B; Frauenheim T; Prezhdo OV
    J Chem Theory Comput; 2016 Apr; 12(4):1436-48. PubMed ID: 26954907
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Surface Hopping without Momentum Jumps: A Quantum-Trajectory-Based Approach to Nonadiabatic Dynamics.
    Martens CC
    J Phys Chem A; 2019 Feb; 123(5):1110-1128. PubMed ID: 30632757
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Combined nonadiabatic transition-state theory and ab initio molecular dynamics study on selectivity of the alpha and beta bond fissions in photodissociation of bromoacetyl chloride.
    Zhang F; Ding WJ; Fang WH
    J Chem Phys; 2006 Nov; 125(18):184305. PubMed ID: 17115750
    [TBL] [Abstract][Full Text] [Related]  

  • 11. New insights into mechanistic photoisomerization of ethylene-bridged azobenzene from ab initio multiple spawning simulation.
    Liu L; Wang Y; Fang Q
    J Chem Phys; 2017 Feb; 146(6):064308. PubMed ID: 28201919
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics.
    Makhov DV; Glover WJ; Martinez TJ; Shalashilin DV
    J Chem Phys; 2014 Aug; 141(5):054110. PubMed ID: 25106573
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Photodissociation dynamics of propyne at 193 nm: a trajectory surface hopping study.
    Ghosh S; Rauta AK; Maiti B
    Phys Chem Chem Phys; 2016 Mar; 18(11):8219-27. PubMed ID: 26928947
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole.
    Faraji S; Vazdar M; Reddy VS; Eckert-Maksic M; Lischka H; Köppel H
    J Chem Phys; 2011 Oct; 135(15):154310. PubMed ID: 22029316
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Photodecarbonylation mechanism of cyclopropenone in the gas phase: electronic structure calculation and AIMS dynamics simulation.
    Liu L; Xia S; Fang WH
    J Phys Chem A; 2014 Oct; 118(39):8977-85. PubMed ID: 24742337
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Ab initio trajectory surface-hopping study on ultrafast deactivation process of thiophene.
    Cui G; Fang W
    J Phys Chem A; 2011 Oct; 115(42):11544-50. PubMed ID: 21928804
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence.
    Min SK; Agostini F; Tavernelli I; Gross EKU
    J Phys Chem Lett; 2017 Jul; 8(13):3048-3055. PubMed ID: 28618782
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An excited-state Wolff rearrangement reaction of 5-diazo Meldrum's acid: an ab initio on-the-fly nonadiabatic dynamics simulation.
    Xu C; Gu FL; Zhu C
    Phys Chem Chem Phys; 2018 Sep; 20(35):22681-22688. PubMed ID: 30137106
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ab initio based surface-hopping dynamics study on ultrafast internal conversion in cyclopropanone.
    Cui G; Fang W
    J Phys Chem A; 2011 Mar; 115(9):1547-55. PubMed ID: 21322652
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.