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 *

264 related articles for article (PubMed ID: 22299851)

  • 41. Transition-metal dioxides: a case for the intersite term in Hubbard-model functionals.
    Kulik HJ; Marzari N
    J Chem Phys; 2011 Mar; 134(9):094103. PubMed ID: 21384946
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Characterization of O2-CeO2 interactions using in situ Raman spectroscopy and first-principle calculations.
    Choi YM; Abernathy H; Chen HT; Lin MC; Liu M
    Chemphyschem; 2006 Sep; 7(9):1957-63. PubMed ID: 16900562
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Efficient hybrid density functional calculations in solids: assessment of the Heyd-Scuseria-Ernzerhof screened Coulomb hybrid functional.
    Heyd J; Scuseria GE
    J Chem Phys; 2004 Jul; 121(3):1187-92. PubMed ID: 15260659
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Interaction of atomic hydrogen with single-walled carbon nanotubes: a density functional theory study.
    Barone V; Heyd J; Scuseria GE
    J Chem Phys; 2004 Apr; 120(15):7169-73. PubMed ID: 15267624
    [TBL] [Abstract][Full Text] [Related]  

  • 45. 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]  

  • 46. Structural and Electronic Properties of Bulk ZnX (X = O, S, Se, Te), ZnF
    Flores EM; Moreira ML; Piotrowski MJ
    J Phys Chem A; 2020 May; 124(19):3778-3785. PubMed ID: 32329619
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Reduction and oxidation of Au adatoms on the CeO
    Penschke C; Paier J
    Phys Chem Chem Phys; 2017 May; 19(19):12546-12558. PubMed ID: 28470274
    [TBL] [Abstract][Full Text] [Related]  

  • 48. The role of charge transfer in the oxidation state change of Ce atoms in the TM13-CeO2(111) systems (TM = Pd, Ag, Pt, Au): a DFT + U investigation.
    Tereshchuk P; Freire RL; Ungureanu CG; Seminovski Y; Kiejna A; Da Silva JL
    Phys Chem Chem Phys; 2015 May; 17(20):13520-30. PubMed ID: 25939360
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Local screened Coulomb correction approach to strongly correlated d-electron systems.
    Wang YC; Jiang H
    J Chem Phys; 2019 Apr; 150(15):154116. PubMed ID: 31005122
    [TBL] [Abstract][Full Text] [Related]  

  • 50. A theoretical study of surface reduction mechanisms of CeO(2)(111) and (110) by H(2).
    Chen HT; Choi YM; Liu M; Lin MC
    Chemphyschem; 2007 Apr; 8(6):849-55. PubMed ID: 17377938
    [TBL] [Abstract][Full Text] [Related]  

  • 51. 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]  

  • 52. Structural and electronic properties of lutecia from first principles.
    Ning L; Zhang Y; Cui Z
    J Phys Condens Matter; 2009 Nov; 21(45):455601. PubMed ID: 21694015
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Strongly correlated electrons in the [Ni(hmp)(ROH)X]4 single molecule magnet: a DFT+U study.
    Cao C; Hill S; Cheng HP
    Phys Rev Lett; 2008 Apr; 100(16):167206. PubMed ID: 18518243
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations.
    Mosey NJ; Liao P; Carter EA
    J Chem Phys; 2008 Jul; 129(1):014103. PubMed ID: 18624466
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Investigating the electronic structure of fluorite-structured oxide compounds: comparison of experimental EELS with first principles calculations.
    Aguiar JA; Ramasse QM; Asta M; Browning ND
    J Phys Condens Matter; 2012 Jul; 24(29):295503. PubMed ID: 22739407
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Oxygen vacancy formation and migration in Ce(x)Th(1-x)O2 solid solution.
    Xiao HY; Weber WJ
    J Phys Chem B; 2011 May; 115(20):6524-33. PubMed ID: 21542655
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Accurate potential energy surfaces with a DFT+U(R) approach.
    Kulik HJ; Marzari N
    J Chem Phys; 2011 Nov; 135(19):194105. PubMed ID: 22112064
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Role of electronic correlation in high-low temperature phase transition of hexagonal nickel sulfide: a comparative density functional theory study with and without correction for on-site Coulomb interaction.
    Zhang WB; Li J; Tang BY
    J Chem Phys; 2013 Jun; 138(24):244703. PubMed ID: 23822260
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Active sites of stoichiometric cerium oxide cations (CemO2m+) probed by reactions with carbon monoxide and small hydrocarbon molecules.
    Wu XN; Zhao YX; Xue W; Wang ZC; He SG; Ding XL
    Phys Chem Chem Phys; 2010 Apr; 12(16):3984-97. PubMed ID: 20379490
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Ab initio DFT+U study of He atom incorporation into UO(2) crystals.
    Gryaznov D; Heifets E; Kotomin E
    Phys Chem Chem Phys; 2009 Sep; 11(33):7241-7. PubMed ID: 19672535
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 14.