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 *

164 related articles for article (PubMed ID: 38919046)

  • 1. On the Topological Phase around Conical Intersections with Tamm-Dancoff Linear-Response Time-Dependent Density Functional Theory.
    Taylor JT; Tozer DJ; Curchod BFE
    J Phys Chem A; 2024 Jul; 128(27):5314-5320. PubMed ID: 38919046
    [TBL] [Abstract][Full Text] [Related]  

  • 2. On the description of conical intersections between excited electronic states with LR-TDDFT and ADC(2).
    Taylor JT; Tozer DJ; Curchod BFE
    J Chem Phys; 2023 Dec; 159(21):. PubMed ID: 38059547
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Configuration Interaction-Corrected Tamm-Dancoff Approximation: A Time-Dependent Density Functional Method with the Correct Dimensionality of Conical Intersections.
    Li SL; Marenich AV; Xu X; Truhlar DG
    J Phys Chem Lett; 2014 Jan; 5(2):322-8. PubMed ID: 26270707
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Up to a Sign. The Insidious Effects of Energetically Inaccessible Conical Intersections on Unimolecular Reactions.
    Xie C; Malbon CL; Guo H; Yarkony DR
    Acc Chem Res; 2019 Feb; 52(2):501-509. PubMed ID: 30707546
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Conical Intersections from Particle-Particle Random Phase and Tamm-Dancoff Approximations.
    Yang Y; Shen L; Zhang D; Yang W
    J Phys Chem Lett; 2016 Jul; 7(13):2407-11. PubMed ID: 27293013
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Nonadiabatic coupling vectors within linear response time-dependent density functional theory.
    Tavernelli I; Tapavicza E; Rothlisberger U
    J Chem Phys; 2009 Mar; 130(12):124107. PubMed ID: 19334808
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Nonadiabatic dynamics with spin-flip vs linear-response time-dependent density functional theory: A case study for the protonated Schiff base C
    Zhang X; Herbert JM
    J Chem Phys; 2021 Sep; 155(12):124111. PubMed ID: 34598550
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Assessment of noncollinear spin-flip Tamm-Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane.
    Huix-Rotllant M; Natarajan B; Ipatov A; Wawire CM; Deutsch T; Casida ME
    Phys Chem Chem Phys; 2010 Oct; 12(39):12811-25. PubMed ID: 20820556
    [TBL] [Abstract][Full Text] [Related]  

  • 9.
    Yu JK; Bannwarth C; Hohenstein EG; MartĂ­nez TJ
    J Chem Theory Comput; 2020 Sep; 16(9):5499-5511. PubMed ID: 32786902
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Dual-Functional Tamm-Dancoff Approximation: A Convenient Density Functional Method that Correctly Describes S
    Shu Y; Parker KA; Truhlar DG
    J Phys Chem Lett; 2017 May; 8(10):2107-2112. PubMed ID: 28418680
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. A Fermi smearing variant of the Tamm-Dancoff approximation for nonadiabatic dynamics involving S
    Peters LDM; Kussmann J; Ochsenfeld C
    J Chem Phys; 2020 Sep; 153(9):094104. PubMed ID: 32891109
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Performance of Tamm-Dancoff approximation on nonadiabatic couplings by time-dependent density functional theory.
    Hu C; Sugino O; Watanabe K
    J Chem Phys; 2014 Feb; 140(5):054106. PubMed ID: 24511921
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Geometric Phase Effects in Nonadiabatic Dynamics near Conical Intersections.
    Ryabinkin IG; Joubert-Doriol L; Izmaylov AF
    Acc Chem Res; 2017 Jul; 50(7):1785-1793. PubMed ID: 28665584
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems.
    Herbert JM; Zhang X; Morrison AF; Liu J
    Acc Chem Res; 2016 May; 49(5):931-41. PubMed ID: 27100899
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Description of Conical Intersections with Density Functional Methods.
    Huix-Rotllant M; Nikiforov A; Thiel W; Filatov M
    Top Curr Chem; 2016; 368():445-76. PubMed ID: 25896441
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Control of Nuclear Dynamics through Conical Intersections and Electronic Coherences.
    Arnold C; Vendrell O; Welsch R; Santra R
    Phys Rev Lett; 2018 Mar; 120(12):123001. PubMed ID: 29694080
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Dissipative dynamics at conical intersections: simulations with the hierarchy equations of motion method.
    Chen L; Gelin MF; Chernyak VY; Domcke W; Zhao Y
    Faraday Discuss; 2016 Dec; 194():61-80. PubMed ID: 27711851
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ultrafast radiationless transition pathways through conical intersections in photo-excited 9H-adenine.
    Hassan WM; Chung WC; Shimakura N; Koseki S; Kono H; Fujimura Y
    Phys Chem Chem Phys; 2010; 12(20):5317-28. PubMed ID: 20358092
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry.
    Tapavicza E; Tavernelli I; Rothlisberger U; Filippi C; Casida ME
    J Chem Phys; 2008 Sep; 129(12):124108. PubMed ID: 19045007
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.