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 *

101 related articles for article (PubMed ID: 26979684)

  • 21. Regarding the validity of the time-dependent Kohn-Sham approach for electron-nuclear dynamics via trajectory surface hopping.
    Fischer SA; Habenicht BF; Madrid AB; Duncan WR; Prezhdo OV
    J Chem Phys; 2011 Jan; 134(2):024102. PubMed ID: 21241075
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Electron and nuclear dynamics of molecular clusters in ultraintense laser fields. IV. Coulomb explosion of molecular heteroclusters.
    Last I; Jortner J
    J Chem Phys; 2004 Nov; 121(17):8329-42. PubMed ID: 15511153
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Electron Dynamics upon Ionization of Polyatomic Molecules: Coupling to Quantum Nuclear Motion and Decoherence.
    Vacher M; Bearpark MJ; Robb MA; Malhado JP
    Phys Rev Lett; 2017 Feb; 118(8):083001. PubMed ID: 28282194
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Probing nuclear dynamics in momentum space: a new interpretation of (e, 2e) electron impact ionization experiments on ethanol.
    Hajgató B; Deleuze MS; Morini F
    J Phys Chem A; 2009 Jun; 113(25):7138-54. PubMed ID: 19469527
    [TBL] [Abstract][Full Text] [Related]  

  • 25. The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cations.
    Jenkins AJ; Spinlove KE; Vacher M; Worth GA; Robb MA
    J Chem Phys; 2018 Sep; 149(9):094108. PubMed ID: 30195291
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Delocalization error and "functional tuning" in Kohn-Sham calculations of molecular properties.
    Autschbach J; Srebro M
    Acc Chem Res; 2014 Aug; 47(8):2592-602. PubMed ID: 24968277
    [TBL] [Abstract][Full Text] [Related]  

  • 27. 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]  

  • 28. Molecular dynamics of methanol monocation (CH₃OH⁺) in strong laser fields.
    Thapa B; Schlegel HB
    J Phys Chem A; 2014 Mar; 118(10):1769-76. PubMed ID: 24547970
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Generalization of classical mechanics for nuclear motions on nonadiabatically coupled potential energy surfaces in chemical reactions.
    Takatsuka K
    J Phys Chem A; 2007 Oct; 111(41):10196-204. PubMed ID: 17676718
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Electron transfer mechanism and the locality of the system-bath interaction: a comparison of local, semilocal, and pure dephasing models.
    Weiss EA; Katz G; Goldsmith RH; Wasielewski MR; Ratner MA; Kosloff R; Nitzan A
    J Chem Phys; 2006 Feb; 124(7):74501. PubMed ID: 16497051
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Electron and nuclear dynamics of molecular clusters in ultraintense laser fields. III. Coulomb explosion of deuterium clusters.
    Last I; Jortner J
    J Chem Phys; 2004 Aug; 121(7):3030-43. PubMed ID: 15291612
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Theoretical modeling of ionization energies of argon clusters: nuclear delocalization effects.
    Svrčková P; Vítek A; Karlický F; Paidarová I; Kalus R
    J Chem Phys; 2011 Jun; 134(22):224310. PubMed ID: 21682517
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Electronic structure of linear thiophenolate-bridged heteronuclear complexes [LFeMFeL](n)(+) (M = Cr, Co, Fe; n = 1-3): a combination of kinetic exchange interaction and electron delocalization.
    Chibotaru LF; Girerd JJ; Blondin G; Glaser T; Wieghardt K
    J Am Chem Soc; 2003 Oct; 125(41):12615-30. PubMed ID: 14531706
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Ultrafast structural pathway of charge transfer in n,n,n',n'-tetramethylethylenediamine.
    Cheng X; Zhang Y; Gao Y; Jónsson H; Weber PM
    J Phys Chem A; 2015 Mar; 119(12):2813-8. PubMed ID: 25714009
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Comparative study of charge division in substituted benzene cations.
    Lee KT; Sung J; Lee KJ; Kim HM; Han KY; Park YD; Kim SK
    J Chem Phys; 2007 Jun; 126(22):224306. PubMed ID: 17581053
    [TBL] [Abstract][Full Text] [Related]  

  • 36. How electronic superpositions drive nuclear motion following the creation of a localized hole in the glycine radical cation.
    Danilov D; Tran T; Bearpark MJ; Marangos JP; Worth GA; Robb MA
    J Chem Phys; 2022 Jun; 156(24):244114. PubMed ID: 35778090
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Electron wavepacket dynamics in highly quasi-degenerate coupled electronic states: a theory for chemistry where the notion of adiabatic potential energy surface loses the sense.
    Yonehara T; Takatsuka K
    J Chem Phys; 2012 Dec; 137(22):22A520. PubMed ID: 23249057
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction.
    Abedi A; Maitra NT; Gross EK
    J Chem Phys; 2012 Dec; 137(22):22A530. PubMed ID: 23249067
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Ab initio two-component Ehrenfest dynamics.
    Ding F; Goings JJ; Liu H; Lingerfelt DB; Li X
    J Chem Phys; 2015 Sep; 143(11):114105. PubMed ID: 26395685
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Efficient electron dynamics with the planewave-based real-time time-dependent density functional theory: absorption spectra, vibronic electronic spectra, and coupled electron-nucleus dynamics.
    Min SK; Cho Y; Kim KS
    J Chem Phys; 2011 Dec; 135(24):244112. PubMed ID: 22225149
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.