BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

206 related articles for article (PubMed ID: 19722634)

  • 1. 2D-3D transition for cationic and anionic gold clusters: a kinetic energy density functional study.
    Ferrighi L; Hammer B; Madsen GK
    J Am Chem Soc; 2009 Aug; 131(30):10605-9. PubMed ID: 19722634
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Validation study of the ability of density functionals to predict the planar-to-three-dimensional structural transition in anionic gold clusters.
    Mantina M; Valero R; Truhlar DG
    J Chem Phys; 2009 Aug; 131(6):064706. PubMed ID: 19691402
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Structure and energetics of two- and three-dimensional neutral, cationic, and anionic gold clusters Au(5< or = n < or =9)Z (Z=0,+/-1).
    Remacle F; Kryachko ES
    J Chem Phys; 2005 Jan; 122(4):44304. PubMed ID: 15740245
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical study of nitric oxide adsorption on Au clusters.
    Ding X; Li Z; Yang J; Hou JG; Zhu Q
    J Chem Phys; 2004 Aug; 121(6):2558-62. PubMed ID: 15281853
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Adsorption of molecular hydrogen and hydrogen sulfide on Au clusters.
    Ghebriel HW; Kshirsagar A
    J Chem Phys; 2007 Jun; 126(24):244705. PubMed ID: 17614575
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Databases for transition element bonding: metal-metal bond energies and bond lengths and their use to test hybrid, hybrid meta, and meta density functionals and generalized gradient approximations.
    Schultz NE; Zhao Y; Truhlar DG
    J Phys Chem A; 2005 May; 109(19):4388-403. PubMed ID: 16833770
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Adsorption-induced structural changes of gold cations from two- to three-dimensions.
    Yang XF; Wang YL; Zhao YF; Wang AQ; Zhang T; Li J
    Phys Chem Chem Phys; 2010 Mar; 12(12):3038-43. PubMed ID: 20449396
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Do anionic gold clusters modify conventional hydrogen bonds? The interaction of anionic Au(n) (n = 2-4) with the adenine-uracil base pair.
    Martínez A
    J Phys Chem A; 2009 Feb; 113(6):1134-40. PubMed ID: 19193174
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Adsorption energies of molecular oxygen on Au clusters.
    Ding X; Li Z; Yang J; Hou JG; Zhu Q
    J Chem Phys; 2004 May; 120(20):9594-600. PubMed ID: 15267971
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Oxidation of Al doped Au clusters: a first principles study.
    Rajesh C; Majumder C
    J Chem Phys; 2009 Jun; 130(23):234309. PubMed ID: 19548729
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Density functional theory assessment of molecular structures and energies of neutral and anionic Al(n) (n = 2-10) clusters.
    Paranthaman S; Hong K; Kim J; Kim DE; Kim TK
    J Phys Chem A; 2013 Sep; 117(38):9293-303. PubMed ID: 24028335
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Stability of small Pdn (n=1-7) clusters on the basis of structural and electronic properties: a density functional approach.
    Kalita B; Deka RC
    J Chem Phys; 2007 Dec; 127(24):244306. PubMed ID: 18163674
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Good performance of the M06 family of hybrid meta generalized gradient approximation density functionals on a difficult case: CO adsorption on MgO(001).
    Valero R; Gomes JR; Truhlar DG; Illas F
    J Chem Phys; 2008 Sep; 129(12):124710. PubMed ID: 19045051
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Validation of density functional methods for the calculation of small gold clusters.
    Shi YK; Li ZH; Fan KN
    J Phys Chem A; 2010 Sep; 114(37):10297-308. PubMed ID: 20806984
    [TBL] [Abstract][Full Text] [Related]  

  • 16. How cationic gold clusters respond to a single sulfur atom.
    Woldeghebriel H; Kshirsagar A
    J Chem Phys; 2007 Dec; 127(22):224708. PubMed ID: 18081415
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals.
    Furness JW; Verbeke J; Tellgren EI; Stopkowicz S; Ekström U; Helgaker T; Teale AM
    J Chem Theory Comput; 2015 Sep; 11(9):4169-81. PubMed ID: 26575912
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A theoretical study of the effects of the charge state and size of gold clusters on the adsorption and dissociation of H2.
    Kang GJ; Chen ZX; Li Z; He X
    J Chem Phys; 2009 Jan; 130(3):034701. PubMed ID: 19173531
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Density functional study of CO and NO adsorption on Ni-doped MgO(100).
    Valero R; Gomes JR; Truhlar DG; Illas F
    J Chem Phys; 2010 Mar; 132(10):104701. PubMed ID: 20232978
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexes.
    Johnson ER; Becke AD; Sherrill CD; DiLabio GA
    J Chem Phys; 2009 Jul; 131(3):034111. PubMed ID: 19624185
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.