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 *

259 related articles for article (PubMed ID: 20438058)

  • 1. Prediction of reliable metal-PH3 bond energies for Ni, Pd, and Pt in the 0 and +2 oxidation states.
    Craciun R; Vincent AJ; Shaughnessy KH; Dixon DA
    Inorg Chem; 2010 Jun; 49(12):5546-53. PubMed ID: 20438058
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ligand bond energies in cis- and trans-[L-Pd(PH3)2Cl]+ complexes from coupled cluster theory (CCSD(T)) and density functional theory.
    Chen M; Craciun R; Hoffman N; Dixon DA
    Inorg Chem; 2012 Dec; 51(24):13195-203. PubMed ID: 23194426
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Metal-phosphine bond strengths of the transition metals: a challenge for DFT.
    Minenkov Y; Occhipinti G; Jensen VR
    J Phys Chem A; 2009 Oct; 113(43):11833-44. PubMed ID: 19736907
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Accurate thermochemistry for transition metal oxide clusters.
    Li S; Hennigan JM; Dixon DA; Peterson KA
    J Phys Chem A; 2009 Jul; 113(27):7861-77. PubMed ID: 19518063
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. A DFT and ab initio benchmarking study of metal-alkane interactions and the activation of carbon-hydrogen bonds.
    Flener-Lovitt C; Woon DE; Dunning TH; Girolami GS
    J Phys Chem A; 2010 Feb; 114(4):1843-51. PubMed ID: 20043689
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Benchmark calculations on the adiabatic ionization potentials of M-NH(3) (M=Na,Al,Ga,In,Cu,Ag).
    Li S; Peterson KA; Dixon DA
    J Chem Phys; 2008 Apr; 128(15):154301. PubMed ID: 18433203
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Homogeneous Ni catalysts for H2 oxidation and production: an assessment of theoretical methods, from density functional theory to post Hartree-Fock correlated wave-function theory.
    Chen S; Raugei S; Rousseau R; Dupuis M; Bullock RM
    J Phys Chem A; 2010 Dec; 114(48):12716-24. PubMed ID: 21070021
    [TBL] [Abstract][Full Text] [Related]  

  • 9. DFT study of the full catalytic cycle for the propene hydroformylation catalyzed by a heterobimetallic HPt(SnCl3)(PH3)2 model catalyst.
    da Silva JC; Dias RP; de Almeida WB; Rocha WR
    J Comput Chem; 2010 Jul; 31(10):1986-2000. PubMed ID: 20082381
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Theoretical study of M(PH3)2 complexes of C60, corannulene (C20H10), and sumanene (C21H12) (M = Pd or Pt). Unexpectedly large binding energy of M(PH3)2(C60).
    Kameno Y; Ikeda A; Nakao Y; Sato H; Sakaki S
    J Phys Chem A; 2005 Sep; 109(35):8055-63. PubMed ID: 16834189
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Density functionals for inorganometallic and organometallic chemistry.
    Schultz NE; Zhao Y; Truhlar DG
    J Phys Chem A; 2005 Dec; 109(49):11127-43. PubMed ID: 16331896
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
    Ramírez-Solís A; Poteau R; Vela A; Daudey JP
    J Chem Phys; 2005 Apr; 122(16):164306. PubMed ID: 15945683
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Theoretical study of Pt(PR3)(2)(AlCl3) (R = H, Me, Ph, or Cy) including an unsupported bond between transition metal and non-transition metal elements: geometry, bond strength, and prediction.
    Tsukamoto S; Sakaki S
    J Phys Chem A; 2011 Aug; 115(30):8520-7. PubMed ID: 21710982
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Low-lying electronic states of M(3)O(9)(-) and M(3)O(9)(2-) (M = Mo, W).
    Li S; Dixon DA
    J Phys Chem A; 2007 Nov; 111(43):11093-9. PubMed ID: 17929780
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Tests of Exchange-Correlation Functional Approximations Against Reliable Experimental Data for Average Bond Energies of 3d Transition Metal Compounds.
    Zhang W; Truhlar DG; Tang M
    J Chem Theory Comput; 2013 Sep; 9(9):3965-77. PubMed ID: 26592392
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Assessment of new meta and hybrid meta density functionals for predicting the geometry and binding energy of a challenging system: the dimer of H2S and benzene.
    Leverentz HR; Truhlar DG
    J Phys Chem A; 2008 Jul; 112(26):6009-16. PubMed ID: 18540587
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Assessment of the accuracy of density functionals for prediction of relative energies and geometries of low-lying isomers of water hexamers.
    Dahlke EE; Olson RM; Leverentz HR; Truhlar DG
    J Phys Chem A; 2008 May; 112(17):3976-84. PubMed ID: 18393474
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The Cobalt-Methyl Bond Dissociation in Methylcobalamin: New Benchmark Analysis Based on Density Functional Theory and Completely Renormalized Coupled-Cluster Calculations.
    Kozlowski PM; Kumar M; Piecuch P; Li W; Bauman NP; Hansen JA; Lodowski P; Jaworska M
    J Chem Theory Comput; 2012 Jun; 8(6):1870-94. PubMed ID: 26593822
    [TBL] [Abstract][Full Text] [Related]  

  • 20. DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes.
    Varadwaj PR; Cukrowski I; Marques HM
    J Phys Chem A; 2008 Oct; 112(42):10657-66. PubMed ID: 18823109
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.