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 *

361 related articles for article (PubMed ID: 16784263)

  • 41. Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer.
    Hanni M; Lantto P; Ilias M; Jensen HJ; Vaara J
    J Chem Phys; 2007 Oct; 127(16):164313. PubMed ID: 17979344
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Density functionals from many-body perturbation theory: the band gap for semiconductors and insulators.
    Grüning M; Marini A; Rubio A
    J Chem Phys; 2006 Apr; 124(15):154108. PubMed ID: 16674219
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Linear scaling computation of the Fock matrix. VIII. Periodic boundaries for exact exchange at the Gamma point.
    Tymczak CJ; Weber VT; Schwegler E; Challacombe M
    J Chem Phys; 2005 Mar; 122(12):124105. PubMed ID: 15836367
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Beyond time-dependent exact exchange: the need for long-range correlation.
    Bruneval F; Sottile F; Olevano V; Reining L
    J Chem Phys; 2006 Apr; 124(14):144113. PubMed ID: 16626186
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Theoretical simulation of vibrational sum-frequency generation spectra from density functional theory: application to p-nitrothiophenol and 2,4-dinitroaniline.
    Guthmuller J; Cecchet F; Lis D; Caudano Y; Mani AA; Thiry PA; Peremans A; Champagne B
    Chemphyschem; 2009 Aug; 10(12):2132-42. PubMed ID: 19514032
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Stress tensor.
    Becker M; Sierka M
    J Comput Chem; 2019 Nov; 40(29):2563-2570. PubMed ID: 31322769
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Performance of the Harris functional for extended basis sets at the Hartree-Fock and density functional levels.
    Cullen J
    J Comput Chem; 2004 Apr; 25(5):637-48. PubMed ID: 14978707
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Higher order alchemical derivatives from coupled perturbed self-consistent field theory.
    Lesiuk M; Balawender R; Zachara J
    J Chem Phys; 2012 Jan; 136(3):034104. PubMed ID: 22280741
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Hartree-Fock and density functional complete basis-set (CBS) predicted nuclear shielding anisotropy and shielding tensor components.
    Kupka T; Ruscic B; Botto RE
    Solid State Nucl Magn Reson; 2003 May; 23(3):145-67. PubMed ID: 12763561
    [TBL] [Abstract][Full Text] [Related]  

  • 50. The trust-region self-consistent field method in Kohn-Sham density-functional theory.
    Thøgersen L; Olsen J; Köhn A; Jørgensen P; Sałek P; Helgaker T
    J Chem Phys; 2005 Aug; 123(7):074103. PubMed ID: 16229555
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Coupled perturbed Hartree-Fock for periodic systems: the role of symmetry and related computational aspects.
    Ferrero M; Rérat M; Orlando R; Dovesi R
    J Chem Phys; 2008 Jan; 128(1):014110. PubMed ID: 18190188
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Open-shell localized Hartree-Fock method based on the generalized adiabatic connection Kohn-Sham formalism for a self-consistent treatment of excited states.
    Vitale V; Della Sala F; Görling A
    J Chem Phys; 2005 Jun; 122(24):244102. PubMed ID: 16035741
    [TBL] [Abstract][Full Text] [Related]  

  • 53. A revised electronic Hessian for approximate time-dependent density functional theory.
    Ziegler T; Seth M; Krykunov M; Autschbach J
    J Chem Phys; 2008 Nov; 129(18):184114. PubMed ID: 19045393
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Exact-exchange kernel of time-dependent density functional theory: frequency dependence and photoabsorption spectra of atoms.
    Hellgren M; von Barth U
    J Chem Phys; 2009 Jul; 131(4):044110. PubMed ID: 19655840
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Atomic dipole moments calculated using analytical molecular second-moment gradients.
    Solheim H; Ruud K; Astrand PO
    J Chem Phys; 2004 Jun; 120(22):10368-78. PubMed ID: 15268064
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Koopmans-like approximation in the Kohn-Sham method and the impact of the frozen core approximation on the computation of the reactivity parameters of the density functional theory.
    Vargas R; Garza J; Cedillo A
    J Phys Chem A; 2005 Oct; 109(39):8880-92. PubMed ID: 16834292
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Basis set limit Hartree-Fock and density functional theory response property evaluation by multiresolution multiwavelet basis.
    Sekino H; Maeda Y; Yanai T; Harrison RJ
    J Chem Phys; 2008 Jul; 129(3):034111. PubMed ID: 18647020
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. I. Theory.
    Maschio L; Kirtman B; Rérat M; Orlando R; Dovesi R
    J Chem Phys; 2013 Oct; 139(16):164101. PubMed ID: 24181998
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Analytic derivatives for perturbatively corrected "double hybrid" density functionals: theory, implementation, and applications.
    Neese F; Schwabe T; Grimme S
    J Chem Phys; 2007 Mar; 126(12):124115. PubMed ID: 17411116
    [TBL] [Abstract][Full Text] [Related]  

  • 60. The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide.
    Tsirelson VG; Shishkina AV; Stash AI; Parsons S
    Acta Crystallogr B; 2009 Oct; 65(Pt 5):647-58. PubMed ID: 19767687
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 19.