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 *

313 related articles for article (PubMed ID: 20949985)

  • 21. Density functional theory and multireference configuration interaction studies on low-lying excited states of TiO2.
    Grein F
    J Chem Phys; 2007 Jan; 126(3):034313. PubMed ID: 17249877
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Efficient construction of exchange and correlation potentials by inverting the Kohn-Sham equations.
    Kananenka AA; Kohut SV; Gaiduk AP; Ryabinkin IG; Staroverov VN
    J Chem Phys; 2013 Aug; 139(7):074112. PubMed ID: 23968077
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Aufbau derived from a unified treatment of occupation numbers in Hartree-Fock, Kohn-Sham, and natural orbital theories with the Karush-Kuhn-Tucker conditions for the inequality constraints n(i)or=0.
    Giesbertz KJ; Baerends EJ
    J Chem Phys; 2010 May; 132(19):194108. PubMed ID: 20499952
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Multireference spin-adapted variant of density functional theory.
    Khait YG; Hoffmann MR
    J Chem Phys; 2004 Mar; 120(11):5005-16. PubMed ID: 15267366
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Excitation energies expressed as orbital energies of Kohn-Sham density functional theory with long-range corrected functionals.
    Hirao K; Chan B; Song JW; Bhattarai K; Tewary S
    J Comput Chem; 2020 May; 41(14):1368-1383. PubMed ID: 32108955
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Orbital- and state-dependent functionals in density-functional theory.
    Görling A
    J Chem Phys; 2005 Aug; 123(6):62203. PubMed ID: 16122289
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Geometries and magnetisms of the Zr(n) (n=2-8) clusters: the density functional investigations.
    Wang CC; Zhao RN; Han JG
    J Chem Phys; 2006 May; 124(19):194301. PubMed ID: 16729808
    [TBL] [Abstract][Full Text] [Related]  

  • 28. A density functional study of the structural and electronic properties of silicon monoxide clusters.
    Hu SX; Yu JG; Zeng EY
    J Phys Chem A; 2010 Oct; 114(40):10769-74. PubMed ID: 20857984
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Time-dependent density functional study of the electronic potential energy curves and excitation spectrum of the oxygen molecule.
    Guan J; Wang F; Ziegler T; Cox H
    J Chem Phys; 2006 Jul; 125(4):44314. PubMed ID: 16942149
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Al7Ag and Al7Au clusters with large highest occupied molecular orbital-lowest unoccupied molecular orbital gap.
    Chen MX; Yan XH; Wei SH
    J Phys Chem A; 2007 Sep; 111(35):8659-62. PubMed ID: 17696321
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Magnetic anisotropy from density functional calculations. Comparison of different approaches: Mn12O12 acetate as a test case.
    van Wüllen C
    J Chem Phys; 2009 May; 130(19):194109. PubMed ID: 19466823
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Legendre-transform functionals for spin-density-functional theory.
    Ayers PW; Yang W
    J Chem Phys; 2006 Jun; 124(22):224108. PubMed ID: 16784264
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation.
    Chidthong R; Hannongbua S; Aquino AJ; Wolschann P; Lischka H
    J Comput Chem; 2007 Jul; 28(10):1735-42. PubMed ID: 17340608
    [TBL] [Abstract][Full Text] [Related]  

  • 34. 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]  

  • 35. Self-consistent, constrained linear-combination-of-atomic-potentials approach to quantum mechanics.
    Dunlap BI; Schweigert IV
    J Chem Phys; 2011 Jan; 134(4):044122. PubMed ID: 21280702
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Variational, V-representable, and variable-occupation-number perturbation theories.
    Dunlap BI
    J Chem Phys; 2008 Dec; 129(24):244109. PubMed ID: 19123497
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Density-functional theory with effective potential expressed as a direct mapping of the external potential: applications to atomization energies and ionization potentials.
    Glushkov VN; Fesenko SI
    J Chem Phys; 2006 Dec; 125(23):234111. PubMed ID: 17190551
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Electronic structure of linear thiophenolate-bridged heteronuclear complexes [LFeMFeL](n)(+) (M = Cr, Co, Fe; n = 1-3): a combination of kinetic exchange interaction and electron delocalization.
    Chibotaru LF; Girerd JJ; Blondin G; Glaser T; Wieghardt K
    J Am Chem Soc; 2003 Oct; 125(41):12615-30. PubMed ID: 14531706
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Binding of propene on small gold clusters and on Au(111): simple rules for binding sites and relative binding energies.
    Chrétien S; Gordon MS; Metiu H
    J Chem Phys; 2004 Aug; 121(8):3756-66. PubMed ID: 15303944
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Bipolar host molecules for efficient blue electrophosphorescence: a quantum chemical design.
    Gu X; Zhang H; Fei T; Yang B; Xu H; Ma Y; Liu X
    J Phys Chem A; 2010 Jan; 114(2):965-72. PubMed ID: 20038118
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 16.