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 *

828 related articles for article (PubMed ID: 20443554)

  • 81. Molecular electronic devices based on single-walled carbon nanotube electrodes.
    Feldman AK; Steigerwald ML; Guo X; Nuckolls C
    Acc Chem Res; 2008 Dec; 41(12):1731-41. PubMed ID: 18798657
    [TBL] [Abstract][Full Text] [Related]  

  • 82. Combined effects of one 8-hydroxyquinoline/picolinate and "CH"/N substitutions on the geometry, electronic structure and optical properties of mer-Alq(3).
    Gahungu G; Zhang J; Ntakarutimana V; Gahungu N
    J Phys Chem A; 2010 Jan; 114(1):652-8. PubMed ID: 19904976
    [TBL] [Abstract][Full Text] [Related]  

  • 83. Implications and applications of current-induced dynamics in molecular junctions.
    Jorn R; Seideman T
    Acc Chem Res; 2010 Sep; 43(9):1186-94. PubMed ID: 20465221
    [TBL] [Abstract][Full Text] [Related]  

  • 84. Quantifying free energy profiles of proton transfer reactions in solution and proteins by using a diabatic FDFT mapping.
    Xiang Y; Warshel A
    J Phys Chem B; 2008 Jan; 112(3):1007-15. PubMed ID: 18166038
    [TBL] [Abstract][Full Text] [Related]  

  • 85. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.
    Schwabe T; Grimme S
    Acc Chem Res; 2008 Apr; 41(4):569-79. PubMed ID: 18324790
    [TBL] [Abstract][Full Text] [Related]  

  • 86. From charge transport parameters to charge mobility in organic semiconductors through multiscale simulation.
    Shuai Z; Geng H; Xu W; Liao Y; André JM
    Chem Soc Rev; 2014 Apr; 43(8):2662-79. PubMed ID: 24394992
    [TBL] [Abstract][Full Text] [Related]  

  • 87. First-principles theoretical investigation of the electronic couplings in single crystals of phenanthroline-based organic semiconductors.
    Li H; Brédas JL; Lennartz C
    J Chem Phys; 2007 Apr; 126(16):164704. PubMed ID: 17477621
    [TBL] [Abstract][Full Text] [Related]  

  • 88. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
    Nemykin VN; Hadt RG; Belosludov RV; Mizuseki H; Kawazoe Y
    J Phys Chem A; 2007 Dec; 111(50):12901-13. PubMed ID: 18004829
    [TBL] [Abstract][Full Text] [Related]  

  • 89. Surface chemistry for molecular layer deposition of organic and hybrid organic-inorganic polymers.
    George SM; Yoon B; Dameron AA
    Acc Chem Res; 2009 Apr; 42(4):498-508. PubMed ID: 19249861
    [TBL] [Abstract][Full Text] [Related]  

  • 90. Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study.
    Koch DM; Peslherbe GH
    J Phys Chem B; 2008 Jan; 112(2):636-49. PubMed ID: 18183959
    [TBL] [Abstract][Full Text] [Related]  

  • 91. De Novo Calculation of the Charge Carrier Mobility in Amorphous Small Molecule Organic Semiconductors.
    Kaiser S; Neumann T; Symalla F; Schlöder T; Fediai A; Friederich P; Wenzel W
    Front Chem; 2021; 9():801589. PubMed ID: 35004618
    [TBL] [Abstract][Full Text] [Related]  

  • 92. Computational chemistry meets cultural heritage: challenges and perspectives.
    Fantacci S; Amat A; Sgamellotti A
    Acc Chem Res; 2010 Jun; 43(6):802-13. PubMed ID: 20429593
    [TBL] [Abstract][Full Text] [Related]  

  • 93. Quantum chemical analysis of electronic structure and n- and p-type charge transport in perfluoroarene-modified oligothiophene semiconductors.
    Koh SE; Delley B; Medvedeva JE; Facchetti A; Freeman AJ; Marks TJ; Ratner MA
    J Phys Chem B; 2006 Dec; 110(48):24361-70. PubMed ID: 17134188
    [TBL] [Abstract][Full Text] [Related]  

  • 94. The influence of orientations and external electric field on charge carrier mobilities in CuPc and F16CuPc films on highly ordered pyrolytic graphite and octane-1-thiol terminated Au(111) substrates.
    Chen S; Ma J
    Phys Chem Chem Phys; 2010 Oct; 12(38):12177-87. PubMed ID: 20714578
    [TBL] [Abstract][Full Text] [Related]  

  • 95. Chromophore/DNA interactions: femto- to nanosecond spectroscopy, NMR structure, and electron transfer theory.
    von Feilitzsch T; Tuma J; Neubauer H; Verdier L; Haselsberger R; Feick R; Gurzadyan G; Voityuk AA; Griesinger C; Michel-Beyerle ME
    J Phys Chem B; 2008 Jan; 112(3):973-89. PubMed ID: 18163608
    [TBL] [Abstract][Full Text] [Related]  

  • 96. Atomic spectral methods for molecular electronic structure calculations.
    Langhoff PW; Boatz JA; Hinde RJ; Sheehy JA
    J Chem Phys; 2004 Nov; 121(19):9323-42. PubMed ID: 15538852
    [TBL] [Abstract][Full Text] [Related]  

  • 97. Multiscale study of charge mobility of organic semiconductor with dynamic disorders.
    Wang L; Li Q; Shuai Z; Chen L; Shi Q
    Phys Chem Chem Phys; 2010 Apr; 12(13):3309-14. PubMed ID: 20237724
    [TBL] [Abstract][Full Text] [Related]  

  • 98. QM:QM electronic embedding using Mulliken atomic charges: energies and analytic gradients in an ONIOM framework.
    Hratchian HP; Parandekar PV; Raghavachari K; Frisch MJ; Vreven T
    J Chem Phys; 2008 Jan; 128(3):034107. PubMed ID: 18205488
    [TBL] [Abstract][Full Text] [Related]  

  • 99. Fresh look at electron-transfer mechanisms via the donor/acceptor bindings in the critical encounter complex.
    Rosokha SV; Kochi JK
    Acc Chem Res; 2008 May; 41(5):641-53. PubMed ID: 18380446
    [TBL] [Abstract][Full Text] [Related]  

  • 100. Combining ab initio quantum mechanics with a dipole-field model to describe acid dissociation reactions in water: first-principles free energy and entropy calculations.
    Maurer P; Iftimie R
    J Chem Phys; 2010 Feb; 132(7):074112. PubMed ID: 20170220
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 42.