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 *

174 related articles for article (PubMed ID: 37984502)

  • 1. 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]  

  • 2. 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]  

  • 3. 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]  

  • 4. Photoinduced Nonadiabatic Dynamics of a Single-Walled Carbon Nanotube-Porphyrin Complex.
    Chen WK; Zhao X; Liu XY; Xie XY; Zeng Y; Cui G
    J Phys Chem A; 2024 Oct; 128(40):8803-8815. PubMed ID: 39344670
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Nonadiabatic molecular dynamics simulations based on time-dependent density functional tight-binding method.
    Wu X; Wen S; Song H; Frauenheim T; Tretiak S; Yam C; Zhang Y
    J Chem Phys; 2022 Aug; 157(8):084114. PubMed ID: 36049993
    [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. 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. 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]  

  • 9. Ultrafast charge transfer in a nonfullerene all-small-molecule organic solar cell: a nonadiabatic dynamics simulation with optimally tuned range-separated functional.
    Mao D; Chen XR; Li DH; Liu XY; Cui G; Li L
    Phys Chem Chem Phys; 2022 Nov; 24(44):27173-27183. PubMed ID: 36321450
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Rational design of monolayer transition metal dichalcogenide@fullerene van der Waals photovoltaic heterojunctions with time-domain density functional theory simulations.
    Zhou HJ; Xu DH; Yang QH; Liu XY; Cui G; Li L
    Dalton Trans; 2021 May; 50(19):6725-6734. PubMed ID: 33912883
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Spin-Orbit Coupling Is the Key to Promote Asynchronous Photoinduced Charge Transfer of Two-Dimensional Perovskites.
    Yang JJ; Chen WK; Liu XY; Fang WH; Cui G
    JACS Au; 2021 Aug; 1(8):1178-1186. PubMed ID: 34467356
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Weak Donor-Acceptor Interaction and Interface Polarization Define Photoexcitation Dynamics in the MoS
    Wei Y; Li L; Fang W; Long R; Prezhdo OV
    Nano Lett; 2017 Jul; 17(7):4038-4046. PubMed ID: 28586230
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Theoretical Study of the Charge Transfer Exciton Binding Energy in Semiconductor Materials for Polymer:Fullerene-Based Bulk Heterojunction Solar Cells.
    Izquierdo MA; Broer R; Havenith RWA
    J Phys Chem A; 2019 Feb; 123(6):1233-1242. PubMed ID: 30676720
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Conformational and Solvent Effects on the Photoinduced Electron Transfer Dynamics of a Zinc Phthalocyanine-Benzoperylenetriimide Conjugate: A Nonadiabatic Dynamics Simulation.
    Liu SS; Wei X; Zheng Y; Liu S; Xu DH; Li L; Cui G; Liu XY
    Chemphyschem; 2024 Oct; ():e202400631. PubMed ID: 39385521
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Ultrafast Charge Transfer and Delayed Recombination in Graphitic-CN/WTe
    Ghosh A; Ball B; Pal S; Sarkar P
    J Phys Chem Lett; 2022 Sep; 13(34):7898-7905. PubMed ID: 35980156
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Combining Graphics Processing Units, Simplified Time-Dependent Density Functional Theory, and Finite-Difference Couplings to Accelerate Nonadiabatic Molecular Dynamics.
    Peters LDM; Kussmann J; Ochsenfeld C
    J Phys Chem Lett; 2020 May; 11(10):3955-3961. PubMed ID: 32374606
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Time-domain ab initio modeling of photoinduced dynamics at nanoscale interfaces.
    Wang L; Long R; Prezhdo OV
    Annu Rev Phys Chem; 2015 Apr; 66():549-79. PubMed ID: 25622188
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Non-negligible roles of charge transfer excitons in ultrafast excitation energy transfer dynamics of a double-walled carbon nanotube.
    Xie RF; Zhang JB; Wu Y; Li L; Liu XY; Cui G
    J Chem Phys; 2023 Feb; 158(5):054108. PubMed ID: 36754819
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.