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 *

259 related articles for article (PubMed ID: 15836080)

  • 1. Electronic nonadiabatic effects in the adsorption of hydrogen atoms on metals.
    Mizielinski MS; Bird DM; Persson M; Holloway S
    J Chem Phys; 2005 Feb; 122(8):84710. PubMed ID: 15836080
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Spectrum of electronic excitations due to the adsorption of atoms on metal surfaces.
    Mizielinski MS; Bird DM; Persson M; Holloway S
    J Chem Phys; 2007 Jan; 126(3):034705. PubMed ID: 17249894
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Direct and indirect electron transfer at a semiconductor surface with an adsorbate: theory and application to Ag3Si(111):H.
    Leathers AS; Micha DA; Kilin DS
    J Chem Phys; 2010 Mar; 132(11):114702. PubMed ID: 20331311
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Time-dependent density-functional theory beyond the adiabatic approximation: insights from a two-electron model system.
    Ullrich CA
    J Chem Phys; 2006 Dec; 125(23):234108. PubMed ID: 17190548
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces.
    Navrotskaya I; Soudackov AV; Hammes-Schiffer S
    J Chem Phys; 2008 Jun; 128(24):244712. PubMed ID: 18601370
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Adiabatic approximation of time-dependent density matrix functional response theory.
    Pernal K; Giesbertz K; Gritsenko O; Baerends EJ
    J Chem Phys; 2007 Dec; 127(21):214101. PubMed ID: 18067343
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. An Anderson impurity model for efficient sampling of adiabatic potential energy surfaces of transition metal complexes.
    LaBute MX; Endres RG; Cox DL
    J Chem Phys; 2004 Nov; 121(17):8221-30. PubMed ID: 15511141
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Excited electronic states and nonadiabatic effects in contemporary chemical dynamics.
    Mahapatra S
    Acc Chem Res; 2009 Aug; 42(8):1004-15. PubMed ID: 19456094
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio simulation of the spin transition during chemisorption: H/Al(111).
    Lindenblatt M; Pehlke E
    Phys Rev Lett; 2006 Nov; 97(21):216101. PubMed ID: 17155751
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Performance of a nonempirical meta-generalized gradient approximation density functional for excitation energies.
    Tao J; Tretiak S; Zhu JX
    J Chem Phys; 2008 Feb; 128(8):084110. PubMed ID: 18315036
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Nonadiabatic corrections to the wave function and energy.
    Pachucki K; Komasa J
    J Chem Phys; 2008 Jul; 129(3):034102. PubMed ID: 18647011
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Real-time study of the adiabatic energy loss in an atomic collision with a metal cluster.
    Baer R; Siam N
    J Chem Phys; 2004 Oct; 121(13):6341-5. PubMed ID: 15446930
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Single surface beyond Born-Oppenheimer equation for a three-state model Hamiltonian of Na3 cluster.
    Kumar Paul A; Sardar S; Sarkar B; Adhikari S
    J Chem Phys; 2009 Sep; 131(12):124312. PubMed ID: 19791886
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Mean-field dynamics with stochastic decoherence (MF-SD): a new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence.
    Bedard-Hearn MJ; Larsen RE; Schwartz BJ
    J Chem Phys; 2005 Dec; 123(23):234106. PubMed ID: 16392913
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A time-dependent density-functional approach to nonadiabatic electron-nucleus dynamics: formulation and photochemical application.
    Hirai H; Sugino O
    Phys Chem Chem Phys; 2009 Jun; 11(22):4570-8. PubMed ID: 19475177
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Photochemical reactivity of 2-vinylbiphenyl and 2-vinyl-1,3-terphenyl: the balance between nonadiabatic and adiabatic photocyclization.
    Boggio-Pasqua M; Bearpark MJ; Ogliaro F; Robb MA
    J Am Chem Soc; 2006 Aug; 128(32):10533-40. PubMed ID: 16895421
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Adsorption of atoms on cu surfaces: a density functional theory study.
    Pang XY; Xue LQ; Wang GC
    Langmuir; 2007 Apr; 23(9):4910-7. PubMed ID: 17388612
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Semiclassical theory of electronically nonadiabatic chemical dynamics: incorporation of the Zhu-Nakamura theory into the frozen Gaussian propagation method.
    Kondorskiy A; Nakamura H
    J Chem Phys; 2004 May; 120(19):8937-54. PubMed ID: 15267829
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.