BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

185 related articles for article (PubMed ID: 35266391)

  • 1. 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]  

  • 2. 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]  

  • 3. Nonadiabatic Dynamics Simulations for Photoinduced Processes in Molecules and Semiconductors: Methodologies and Applications.
    Liu XY; Chen WK; Fang WH; Cui G
    J Chem Theory Comput; 2023 Dec; 19(23):8491-8522. PubMed ID: 37984502
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Nonadiabatic dynamics: The SHARC approach.
    Mai S; Marquetand P; González L
    Wiley Interdiscip Rev Comput Mol Sci; 2018; 8(6):e1370. PubMed ID: 30450129
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Predicting Kinetics and Dynamics of Spin-Dependent Processes.
    Dergachev ID; Dergachev VD; Rooein M; Mirzanejad A; Varganov SA
    Acc Chem Res; 2023 Apr; 56(7):856-866. PubMed ID: 36926853
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Towards the realization of ab initio dynamics at the speed of molecular mechanics: simulations with interpolated diabatic Hamiltonian.
    Park JW; Rhee YM
    Chemphyschem; 2014 Oct; 15(15):3183-93. PubMed ID: 25080201
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Nonadiabatic excited-state molecular dynamics: modeling photophysics in organic conjugated materials.
    Nelson T; Fernandez-Alberti S; Roitberg AE; Tretiak S
    Acc Chem Res; 2014 Apr; 47(4):1155-64. PubMed ID: 24673100
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Modeling Spin-Crossover Dynamics.
    Mukherjee S; Fedorov DA; Varganov SA
    Annu Rev Phys Chem; 2021 Apr; 72():515-540. PubMed ID: 33561360
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Nonadiabatic dynamics simulation of photoinduced ring-opening reaction of 2(5
    Xie BB; Liu BL; Tang XF; Tang D; Shen L; Fang WH
    Phys Chem Chem Phys; 2021 Apr; 23(16):9867-9877. PubMed ID: 33908501
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Nonadiabatic Dynamics Simulation Predict Intersystem Crossing in Nitroaromatic Molecules on a Picosecond Time Scale.
    Zobel JP; González L
    ChemPhotoChem; 2019 Sep; 3(9):833-845. PubMed ID: 31681833
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Photodynamics of azomethane: a nonadiabatic surface-hopping study.
    Sellner B; Ruckenbauer M; Stambolić I; Barbatti M; Aquino AJ; Lischka H
    J Phys Chem A; 2010 Aug; 114(33):8778-85. PubMed ID: 20450202
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Enhanced Electron Transfer and Spin Flip through Spin-Orbital Couplings in Organic/Inorganic Heterojunctions: A Nonadiabatic Surface Hopping Simulation.
    Lei Y; Zheng Z; Vasquez L; Zhao J; Ma J; Ma H
    J Phys Chem Lett; 2022 Jun; 13(22):4840-4848. PubMed ID: 35616399
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. 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]  

  • 17. An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications.
    Du L; Lan Z
    J Chem Theory Comput; 2015 Apr; 11(4):1360-74. PubMed ID: 26574348
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Nonadiabatic ab initio molecular dynamics including spin-orbit coupling and laser fields.
    Marquetand P; Richter M; González-Vázquez J; Sola I; González L
    Faraday Discuss; 2011; 153():261-73; discussion 293-319. PubMed ID: 22452086
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Nonadiabatic molecular dynamics study of the cis-trans photoisomerization of azobenzene excited to the S1 state.
    Pederzoli M; Pittner J; Barbatti M; Lischka H
    J Phys Chem A; 2011 Oct; 115(41):11136-43. PubMed ID: 21688804
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Correspondence between electronic structure calculations and simulations: nonadiabatic dynamics in CS
    Bellshaw D; Minns RS; Kirrander A
    Phys Chem Chem Phys; 2019 Jul; 21(26):14226-14237. PubMed ID: 30540304
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.