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 *

93 related articles for article (PubMed ID: 16223323)

  • 1. Side-chain effects in molecular electronic devices.
    Ernzerhof M; Zhuang M; Rocheleau P
    J Chem Phys; 2005 Oct; 123(13):134704. PubMed ID: 16223323
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Equiconducting molecular electronic devices.
    Zhou YX; Ernzerhof M
    J Chem Phys; 2010 Mar; 132(10):104706. PubMed ID: 20232983
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Source and sink potentials for the description of open systems with a stationary current passing through.
    Goyer F; Ernzerhof M; Zhuang M
    J Chem Phys; 2007 Apr; 126(14):144104. PubMed ID: 17444698
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A simple model of molecular electronic devices and its analytical solution.
    Ernzerhof M
    J Chem Phys; 2007 Nov; 127(20):204709. PubMed ID: 18052448
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A ground-state-directed optimization scheme for the Kohn-Sham energy.
    Høst S; Jansík B; Olsen J; Jørgensen P; Reine S; Helgaker T
    Phys Chem Chem Phys; 2008 Sep; 10(35):5344-8. PubMed ID: 18766229
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Effects of side-chain and electron exchange correlation on the band structure of perylene diimide liquid crystals: a density functional study.
    Arantes JT; Lima MP; Fazzio A; Xiang H; Wei SH; Dalpian GM
    J Phys Chem B; 2009 Apr; 113(16):5376-80. PubMed ID: 19368408
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Time-dependent density functional calculations on the electronic spectra of the neutral nickel complex [Ni(LISQ)2] (LISQ = 3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)) and its monoanion and dication.
    Bachler V
    J Comput Chem; 2009 Oct; 30(13):2087-98. PubMed ID: 19229945
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Comparison of DFT methods for molecular orbital eigenvalue calculations.
    Zhang G; Musgrave CB
    J Phys Chem A; 2007 Mar; 111(8):1554-61. PubMed ID: 17279730
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Intracule densities in the strong-interaction limit of density functional theory.
    Gori-Giorgi P; Seidl M; Savin A
    Phys Chem Chem Phys; 2008 Jun; 10(23):3440-6. PubMed ID: 18535727
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Molecular binding energies from partition density functional theory.
    Nafziger J; Wu Q; Wasserman A
    J Chem Phys; 2011 Dec; 135(23):234101. PubMed ID: 22191858
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Guanine crystals: a first principles study.
    Ortmann F; Hannewald K; Bechstedt F
    J Phys Chem B; 2008 Feb; 112(5):1540-8. PubMed ID: 18197657
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (direct COSMO-RS).
    Sinnecker S; Rajendran A; Klamt A; Diedenhofen M; Neese F
    J Phys Chem A; 2006 Feb; 110(6):2235-45. PubMed ID: 16466261
    [TBL] [Abstract][Full Text] [Related]  

  • 13. An efficient first-principle approach for electronic structures calculations of nanomaterials.
    Gao B; Jiang J; Liu K; Wu Z; Lu W; Luo Y
    J Comput Chem; 2008 Feb; 29(3):434-44. PubMed ID: 17631651
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Probing the molecular and electronic structure of capsaicin: a spectroscopic and quantum mechanical study.
    Alberti A; Galasso V; Kovac B; Modelli A; Pichierri F
    J Phys Chem A; 2008 Jun; 112(25):5700-11. PubMed ID: 18507451
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.
    Khvostichenko D; Choi A; Boulatov R
    J Phys Chem A; 2008 Apr; 112(16):3700-11. PubMed ID: 18348545
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A density-functional approach to polarizable models: a Kim-Gordon response density interaction potential for molecular simulations.
    Tabacchi G; Hutter J; Mundy CJ
    J Chem Phys; 2005 Aug; 123(7):074108. PubMed ID: 16229560
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Density functional theory of complex transition densities.
    Ernzerhof M
    J Chem Phys; 2006 Sep; 125(12):124104. PubMed ID: 17014163
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Development of the cyclic cluster model formalism for Kohn-Sham auxiliary density functional theory methods.
    Janetzko F; Köster AM; Salahub DR
    J Chem Phys; 2008 Jan; 128(2):024102. PubMed ID: 18205438
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Accurate solid-state band gaps via screened hybrid electronic structure calculations.
    Brothers EN; Izmaylov AF; Normand JO; Barone V; Scuseria GE
    J Chem Phys; 2008 Jul; 129(1):011102. PubMed ID: 18624460
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Effect of electrodes on electronic transport of molecular electronic devices.
    Cho Y; Kim WY; Kim KS
    J Phys Chem A; 2009 Apr; 113(16):4100-4. PubMed ID: 19284720
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 5.