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 *

271 related articles for article (PubMed ID: 26671356)

  • 21. Performance of TDDFT with and without spin-flip in trajectory surface hopping dynamics: cis-trans azobenzene photoisomerization.
    Yue L; Liu Y; Zhu C
    Phys Chem Chem Phys; 2018 Oct; 20(37):24123-24139. PubMed ID: 30206584
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Direct Grid-Based Nonadiabatic Dynamics on Machine-Learned Potential Energy Surfaces: Application to Spin-Forbidden Processes.
    Richings GW; Habershon S
    J Phys Chem A; 2020 Nov; 124(44):9299-9313. PubMed ID: 33104337
    [TBL] [Abstract][Full Text] [Related]  

  • 23. 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]  

  • 24. Ab initio surface hopping excited-state molecular dynamics approach on the basis of spin-orbit coupled states: An application to the A-band photodissociation of CH
    Kamiya M; Taketsugu T
    J Comput Chem; 2019 Jan; 40(2):456-463. PubMed ID: 30451310
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Trajectory-based solution of the nonadiabatic quantum dynamics equations: an on-the-fly approach for molecular dynamics simulations.
    Curchod BF; Tavernelli I; Rothlisberger U
    Phys Chem Chem Phys; 2011 Feb; 13(8):3231-6. PubMed ID: 21264437
    [TBL] [Abstract][Full Text] [Related]  

  • 26. 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]  

  • 27. Accurate Spin-Orbit Coupling by Relativistic Mixed-Reference Spin-Flip-TDDFT.
    Komarov K; Park W; Lee S; Zeng T; Choi CH
    J Chem Theory Comput; 2023 Feb; 19(3):953-964. PubMed ID: 36655271
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Nonadiabatic dynamics and simulation of time resolved photoelectron spectra within time-dependent density functional theory: Ultrafast photoswitching in benzylideneaniline.
    Mitrić R; Werner U; Bonacić-Koutecký V
    J Chem Phys; 2008 Oct; 129(16):164118. PubMed ID: 19045258
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Ab initio nonadiabatic dynamics study of ultrafast radiationless decay over conical intersections illustrated on the Na3F cluster.
    Mitrić R; Bonacić-Koutecký V; Pittner J; Lischka H
    J Chem Phys; 2006 Jul; 125(2):24303. PubMed ID: 16848580
    [TBL] [Abstract][Full Text] [Related]  

  • 30. 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]  

  • 31. 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]  

  • 32. 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]  

  • 33. Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol.
    Xie W; Domcke W
    J Chem Phys; 2017 Nov; 147(18):184114. PubMed ID: 29141421
    [TBL] [Abstract][Full Text] [Related]  

  • 34. 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]  

  • 35. Evaluation of the Time-Derivative Coupling for Accurate Electronic State Transition Probabilities from Numerical Simulations.
    Meek GA; Levine BG
    J Phys Chem Lett; 2014 Jul; 5(13):2351-6. PubMed ID: 26279558
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Incorporating spin-orbit effects into surface hopping dynamics using the diagonal representation: a linear-response time-dependent density functional theory implementation with applications to 2-thiouracil.
    Duan JX; Zhou Y; Xie ZZ; Sun TL; Cao J
    Phys Chem Chem Phys; 2018 Jun; 20(22):15445-15454. PubMed ID: 29796548
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm-Dancoff approximation and beyond.
    Tavernelli I; Curchod BF; Laktionov A; Rothlisberger U
    J Chem Phys; 2010 Nov; 133(19):194104. PubMed ID: 21090851
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Spin-Orbit Couplings for Nonadiabatic Molecular Dynamics at the ΔSCF Level.
    Mališ M; Vandaele E; Luber S
    J Chem Theory Comput; 2022 Jul; 18(7):4082-4094. PubMed ID: 35666703
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Intersystem Crossings in Late-Row Elements: A Perspective.
    Valentine AJS; Li X
    J Phys Chem Lett; 2022 Apr; 13(13):3039-3046. PubMed ID: 35348325
    [TBL] [Abstract][Full Text] [Related]  

  • 40. 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]  

    [Previous]   [Next]    [New Search]
    of 14.