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 *

227 related articles for article (PubMed ID: 16709092)

  • 21. Ion-pair binding energies of ionic liquids: can DFT compete with ab initio-based methods?
    Izgorodina EI; Bernard UL; MacFarlane DR
    J Phys Chem A; 2009 Jun; 113(25):7064-72. PubMed ID: 19462960
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Semiempirical GGA-type density functional constructed with a long-range dispersion correction.
    Grimme S
    J Comput Chem; 2006 Nov; 27(15):1787-99. PubMed ID: 16955487
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Time-dependent density functional theory calculations for core-excited states: assessment of standard exchange-correlation functionals and development of a novel hybrid functional.
    Nakata A; Imamura Y; Otsuka T; Nakai H
    J Chem Phys; 2006 Mar; 124(9):94105. PubMed ID: 16526843
    [TBL] [Abstract][Full Text] [Related]  

  • 24. A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions.
    Zhao Y; Truhlar DG
    J Chem Phys; 2006 Nov; 125(19):194101. PubMed ID: 17129083
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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]  

  • 26. Coverage of dynamic correlation effects by density functional theory functionals: density-based analysis for neon.
    Jankowski K; Nowakowski K; Grabowski I; Wasilewski J
    J Chem Phys; 2009 Apr; 130(16):164102. PubMed ID: 19405556
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: performances of different exchange-correlation functionals.
    Labat F; Baranek P; Domain C; Minot C; Adamo C
    J Chem Phys; 2007 Apr; 126(15):154703. PubMed ID: 17461655
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Performance of density functional methods. Some difficult cases for small systems containing Cu, Ag, or Au.
    Sierraalta A; Añez R; Alejos P
    J Phys Chem A; 2013 Mar; 117(12):2619-28. PubMed ID: 23465056
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Why does the B3LYP hybrid functional fail for metals?
    Paier J; Marsman M; Kresse G
    J Chem Phys; 2007 Jul; 127(2):024103. PubMed ID: 17640115
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Structural, energetic, and vibrational properties of NO(x) adsorption on Ag(n), n = 1-8.
    Grönbeck H; Hellman A; Gavrin A
    J Phys Chem A; 2007 Jul; 111(27):6062-7. PubMed ID: 17579372
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Numerical examination of performance of some exchange-correlation functionals for molecules containing heavy elements.
    Wang F; Li L
    J Comput Chem; 2004 Apr; 25(5):669-77. PubMed ID: 14978710
    [TBL] [Abstract][Full Text] [Related]  

  • 32. First principles local pseudopotential for silver: towards orbital-free density-functional theory for transition metals.
    Zhou B; Carter EA
    J Chem Phys; 2005 May; 122(18):184108. PubMed ID: 15918695
    [TBL] [Abstract][Full Text] [Related]  

  • 33. A first-principles study of the influence of helium atoms on the optical response of small silver clusters.
    Pereiro M; Baldomir D; Arias JE
    J Chem Phys; 2011 Feb; 134(8):084307. PubMed ID: 21361539
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Interaction of amino acids with gold and silver clusters.
    Pakiari AH; Jamshidi Z
    J Phys Chem A; 2007 May; 111(20):4391-6. PubMed ID: 17447742
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Calculation of electron detachment energies for water cluster anions: an appraisal of electronic structure methods, with application to (H2O)20- AND (H2O)24-.
    Herbert JM; Head-Gordon M
    J Phys Chem A; 2005 Jun; 109(23):5217-29. PubMed ID: 16833879
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Density functional study of double ionization energies.
    Chong DP
    J Chem Phys; 2008 Feb; 128(8):084112. PubMed ID: 18315038
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Semiempirical double-hybrid density functional with improved description of long-range correlation.
    Benighaus T; DiStasio RA; Lochan RC; Chai JD; Head-Gordon M
    J Phys Chem A; 2008 Mar; 112(12):2702-12. PubMed ID: 18318517
    [TBL] [Abstract][Full Text] [Related]  

  • 38. 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]  

  • 39. Structures and stability of medium-sized silicon clusters. III. Reexamination of motif transition in growth pattern from Si15 to Si20.
    Yoo S; Zeng XC
    J Chem Phys; 2005 Oct; 123(16):164303. PubMed ID: 16268693
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Structure and energetics of small gold nanoclusters and their positive ions.
    Walker AV
    J Chem Phys; 2005 Mar; 122(9):094310. PubMed ID: 15836131
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 12.