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 *

273 related articles for article (PubMed ID: 22502509)

  • 1. Improved constraint satisfaction in a simple generalized gradient approximation exchange functional.
    Vela A; Pacheco-Kato JC; Gázquez JL; del Campo JM; Trickey SB
    J Chem Phys; 2012 Apr; 136(14):144115. PubMed ID: 22502509
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Variable Lieb-Oxford bound satisfaction in a generalized gradient exchange-correlation functional.
    Vela A; Medel V; Trickey SB
    J Chem Phys; 2009 Jun; 130(24):244103. PubMed ID: 19566138
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits.
    Perdew JP; Ruzsinszky A; Tao J; Staroverov VN; Scuseria GE; Csonka GI
    J Chem Phys; 2005 Aug; 123(6):62201. PubMed ID: 16122287
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Current-dependent extension of the Perdew-Burke-Ernzerhof exchange-correlation functional.
    Maximoff SN; Ernzerhof M; Scuseria GE
    J Chem Phys; 2004 Feb; 120(5):2105-9. PubMed ID: 15268348
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb-Oxford bound.
    Zhao Y; Truhlar DG
    J Chem Phys; 2008 May; 128(18):184109. PubMed ID: 18532801
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Ab initio study of stoichiometric gallium phosphide clusters.
    Kamal C; Ghanty TK; Banerjee A; Chakrabarti A
    J Chem Phys; 2009 Jan; 130(2):024308. PubMed ID: 19154029
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Testing the TPSS meta-generalized-gradient-approximation exchange-correlation functional in calculations of transition states and reaction barriers.
    Kanai Y; Wang X; Selloni A; Car R
    J Chem Phys; 2006 Dec; 125(23):234104. PubMed ID: 17190544
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Meta-generalized gradient approximation: explanation of a realistic nonempirical density functional.
    Perdew JP; Tao J; Staroverov VN; Scuseria GE
    J Chem Phys; 2004 Apr; 120(15):6898-911. PubMed ID: 15267588
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Diminished gradient dependence of density functionals: constraint satisfaction and self-interaction correction.
    Csonka GI; Vydrov OA; Scuseria GE; Ruzsinszky A; Perdew JP
    J Chem Phys; 2007 Jun; 126(24):244107. PubMed ID: 17614537
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties.
    del Campo JM; Gázquez JL; Trickey SB; Vela A
    J Chem Phys; 2012 Mar; 136(10):104108. PubMed ID: 22423829
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Generalized-gradient exchange-correlation hole obtained from a correlation factor ansatz.
    Bahmann H; Ernzerhof M
    J Chem Phys; 2008 Jun; 128(23):234104. PubMed ID: 18570488
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Towards improved local hybrid functionals by calibration of exchange-energy densities.
    Arbuznikov AV; Kaupp M
    J Chem Phys; 2014 Nov; 141(20):204101. PubMed ID: 25429927
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Binding energy curves from nonempirical density functionals II. van der Waals bonds in rare-gas and alkaline-earth diatomics.
    Ruzsinszky A; Perdew JP; Csonka GI
    J Phys Chem A; 2005 Dec; 109(48):11015-21. PubMed ID: 16331945
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Generalized gradient approximation exchange energy functional with correct asymptotic behavior of the corresponding potential.
    Carmona-Espíndola J; Gázquez JL; Vela A; Trickey SB
    J Chem Phys; 2015 Feb; 142(5):054105. PubMed ID: 25662634
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Communication: Effect of the orbital-overlap dependence in the meta generalized gradient approximation.
    Sun J; Xiao B; Ruzsinszky A
    J Chem Phys; 2012 Aug; 137(5):051101. PubMed ID: 22894323
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Performance of a nonempirical meta-generalized gradient approximation density functional for excitation energies.
    Tao J; Tretiak S; Zhu JX
    J Chem Phys; 2008 Feb; 128(8):084110. PubMed ID: 18315036
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Semilocal density functional obeying a strongly tightened bound for exchange.
    Sun J; Perdew JP; Ruzsinszky A
    Proc Natl Acad Sci U S A; 2015 Jan; 112(3):685-9. PubMed ID: 25561554
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionals.
    Imamura Y; Otsuka T; Nakai H
    J Comput Chem; 2007 Sep; 28(12):2067-74. PubMed ID: 17436256
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions.
    Hao P; Sun J; Xiao B; Ruzsinszky A; Csonka GI; Tao J; Glindmeyer S; Perdew JP
    J Chem Theory Comput; 2013 Jan; 9(1):355-63. PubMed ID: 26589038
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The extended Perdew-Burke-Ernzerhof functional with improved accuracy for thermodynamic and electronic properties of molecular systems.
    Xu X; Goddard WA
    J Chem Phys; 2004 Sep; 121(9):4068-82. PubMed ID: 15332952
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.