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 *

176 related articles for article (PubMed ID: 32687703)

  • 1. Pragmatic Approach to Photodynamics: Mixed Landau-Zener Surface Hopping with Intersystem Crossing.
    Suchan J; Janoš J; Slavíček P
    J Chem Theory Comput; 2020 Sep; 16(9):5809-5820. PubMed ID: 32687703
    [No Abstract]   [Full Text] [Related]  

  • 2. What Controls the Quality of Photodynamical Simulations? Electronic Structure Versus Nonadiabatic Algorithm.
    Janoš J; Slavíček P
    J Chem Theory Comput; 2023 Nov; 19(22):8273-8284. PubMed ID: 37939301
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Nonadiabatic transition state theory and trajectory surface hopping dynamics: intersystem crossing between (3)B1 and (1)A1 states of SiH2.
    Zaari RR; Varganov SA
    J Phys Chem A; 2015 Feb; 119(8):1332-8. PubMed ID: 25635385
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Nonadiabatic dynamics with intersystem crossings: A time-dependent density functional theory implementation.
    Franco de Carvalho F; Tavernelli I
    J Chem Phys; 2015 Dec; 143(22):224105. PubMed ID: 26671356
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Ab initio molecular dynamics study of intersystem crossing dynamics for MH
    Wada S; Tsutsumi T; Saita K; Taketsugu T
    J Comput Chem; 2024 Apr; 45(9):552-562. PubMed ID: 38009451
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method.
    Mai S; Plasser F; Pabst M; Neese F; Köhn A; González L
    J Chem Phys; 2017 Nov; 147(18):184109. PubMed ID: 29141436
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ab Initio Multiple Spawning Method for Intersystem Crossing Dynamics: Spin-Forbidden Transitions between (3)B1 and (1)A1 States of GeH2.
    Fedorov DA; Pruitt SR; Keipert K; Gordon MS; Varganov SA
    J Phys Chem A; 2016 May; 120(18):2911-9. PubMed ID: 27064356
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Performance of Mixed Quantum-Classical Approaches on Modeling the Crossover from Hopping to Bandlike Charge Transport in Organic Semiconductors.
    Xie W; Holub D; Kubař T; Elstner M
    J Chem Theory Comput; 2020 Apr; 16(4):2071-2084. PubMed ID: 32176844
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Conformational Control of the Photodynamics of a Bilirubin Dipyrrinone Subunit: Femtosecond Spectroscopy Combined with Nonadiabatic Simulations.
    Janoš J; Madea D; Mahvidi S; Mujawar T; Švenda J; Suchan J; Slavíček P; Klán P
    J Phys Chem A; 2020 Dec; 124(50):10457-10471. PubMed ID: 33283519
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Trajectory surface hopping study of the O((3)P) + C2H2 reaction dynamics: effect of collision energy on the extent of intersystem crossing.
    Rajak K; Maiti B
    J Chem Phys; 2014 Jan; 140(4):044314. PubMed ID: 25669530
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations.
    Belyaev AK; Domcke W; Lasser C; Trigila G
    J Chem Phys; 2015 Mar; 142(10):104307. PubMed ID: 25770540
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Predicting Intersystem Crossing Rates with AIMS-DFT Molecular Dynamics.
    Fedorov DA; Lykhin AO; Varganov SA
    J Phys Chem A; 2018 Apr; 122(13):3480-3488. PubMed ID: 29533626
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ultrafast intersystem crossing for nitrophenols: ab initio nonadiabatic molecular dynamics simulation.
    Xu C; Gu FL; Zhu C
    Phys Chem Chem Phys; 2018 Feb; 20(8):5606-5616. PubMed ID: 29393948
    [TBL] [Abstract][Full Text] [Related]  

  • 17. First Principles Nonadiabatic Excited-State Molecular Dynamics in NWChem.
    Song H; Fischer SA; Zhang Y; Cramer CJ; Mukamel S; Govind N; Tretiak S
    J Chem Theory Comput; 2020 Oct; 16(10):6418-6427. PubMed ID: 32808780
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Highly efficient surface hopping dynamics using a linear vibronic coupling model.
    Plasser F; Gómez S; Menger MFSJ; Mai S; González L
    Phys Chem Chem Phys; 2018 Dec; 21(1):57-69. PubMed ID: 30306987
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Nonadiabatic dynamics simulations on internal conversion and intersystem crossing processes in gold(i) compounds.
    Liu XY; Li ZW; Fang WH; Cui G
    J Chem Phys; 2018 Jul; 149(4):044301. PubMed ID: 30068207
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 9.