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 *

184 related articles for article (PubMed ID: 20689881)

  • 1. Density-functional based determination of intermolecular charge transfer properties for large-scale morphologies.
    Baumeier B; Kirkpatrick J; Andrienko D
    Phys Chem Chem Phys; 2010 Sep; 12(36):11103-13. PubMed ID: 20689881
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Charge transport properties of tris(8-hydroxyquinolinato)aluminum(III): why it is an electron transporter.
    Lin BC; Cheng CP; You ZQ; Hsu CP
    J Am Chem Soc; 2005 Jan; 127(1):66-7. PubMed ID: 15631451
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Electronic properties of disordered organic semiconductors via QM/MM simulations.
    Difley S; Wang LP; Yeganeh S; Yost SR; Van Voorhis T
    Acc Chem Res; 2010 Jul; 43(7):995-1004. PubMed ID: 20443554
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Validation of intermolecular transfer integral and bandwidth calculations for organic molecular materials.
    Huang J; Kertesz M
    J Chem Phys; 2005 Jun; 122(23):234707. PubMed ID: 16008473
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Effect of electronic polarization on charge-transport parameters in molecular organic semiconductors.
    Valeev EF; Coropceanu V; da Silva Filho DA; Salman S; Brédas JL
    J Am Chem Soc; 2006 Aug; 128(30):9882-6. PubMed ID: 16866546
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
    Li AH; Chao SD
    J Chem Phys; 2006 Sep; 125(9):094312. PubMed ID: 16965085
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Charge transfer in polypeptides: effect of secondary structures on charge-transfer integral and site energies.
    Santhanamoorthi N; Kolandaivel P; Senthilkumar K
    J Phys Chem A; 2006 Oct; 110(40):11551-6. PubMed ID: 17020269
    [TBL] [Abstract][Full Text] [Related]  

  • 9. First-principle band structure calculations of tris(8-hydroxyquinolinato)aluminum.
    Yang Y; Geng H; Yin S; Shuai Z; Peng J
    J Phys Chem B; 2006 Feb; 110(7):3180-4. PubMed ID: 16494326
    [TBL] [Abstract][Full Text] [Related]  

  • 10. The limitations of Slater's element-dependent exchange functional from analytic density-functional theory.
    Zope RR; Dunlap BI
    J Chem Phys; 2006 Jan; 124(4):044107. PubMed ID: 16460149
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Dynamics of the intermolecular transfer integral in crystalline organic semiconductors.
    Troisi A; Orlandi G
    J Phys Chem A; 2006 Mar; 110(11):4065-70. PubMed ID: 16539430
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Theoretical characterization of titanyl phthalocyanine as a p-type organic semiconductor: short intermolecular pi-pi interactions yield large electronic couplings and hole transport bandwidths.
    Norton JE; Brédas JL
    J Chem Phys; 2008 Jan; 128(3):034701. PubMed ID: 18205512
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular origin of differences in hole and electron mobility in amorphous Alq3--a multiscale simulation study.
    Fuchs A; Steinbrecher T; Mommer MS; Nagata Y; Elstner M; Lennartz C
    Phys Chem Chem Phys; 2012 Mar; 14(12):4259-70. PubMed ID: 22337316
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Intermolecular Singlet and Triplet Exciton Transfer Integrals from Many-Body Green's Functions Theory.
    Wehner J; Baumeier B
    J Chem Theory Comput; 2017 Apr; 13(4):1584-1594. PubMed ID: 28234472
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Charge transfer rates in organic semiconductors beyond first-order perturbation: from weak to strong coupling regimes.
    Nan G; Wang L; Yang X; Shuai Z; Zhao Y
    J Chem Phys; 2009 Jan; 130(2):024704. PubMed ID: 19154047
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ; Larsen RE; Schwartz BJ
    J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Theoretical study on the charge transport property of Pt(CN(t)Bu)2(CN)2 nanowires induced by Pt···Pt interactions.
    Zhao S; Yu F; Yang G; Zhang H; Su Z; Wang Y
    Dalton Trans; 2012 Jun; 41(24):7272-7. PubMed ID: 22569520
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Theoretical study of isomerism/phase dependent charge transport properties in tris(8-hydroxyquinolinato)aluminum(III).
    Gao H; Zhang H; Zhang H; Gen Y; Su ZM
    J Phys Chem A; 2011 Aug; 115(33):9259-64. PubMed ID: 21809889
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Modeling charge transport in organic photovoltaic materials.
    Nelson J; Kwiatkowski JJ; Kirkpatrick J; Frost JM
    Acc Chem Res; 2009 Nov; 42(11):1768-78. PubMed ID: 19848409
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Efficient calculation of charge-transfer matrix elements for hole transfer in DNA.
    Kubar T; Woiczikowski PB; Cuniberti G; Elstner M
    J Phys Chem B; 2008 Jul; 112(26):7937-47. PubMed ID: 18543986
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.