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 *

149 related articles for article (PubMed ID: 20886935)

  • 1. Importance of backdonation in [M-(CO)]p+ complexes isoelectronic to [Au-(CO)]+.
    Gourlaouen C; Parisel O; Piquemal JP
    J Chem Phys; 2010 Sep; 133(12):124310. PubMed ID: 20886935
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Revisiting the geometry of nd10 (n+1)s0 [M(H2O)]p+ complexes using four-component relativistic DFT calculations and scalar relativistic correlated CSOV energy decompositions (M(p+) = Cu+, Zn2+, Ag+, Cd2+, Au+, Hg2+).
    Gourlaouen C; Piquemal JP; Saue T; Parisel O
    J Comput Chem; 2006 Jan; 27(2):142-56. PubMed ID: 16312018
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Why the hydration energy of Au+ is larger for the second water molecule than the first one: skewed orbitals overlap.
    Lee HM; Diefenbach M; Suh SB; Tarakeshwar P; Kim KS
    J Chem Phys; 2005 Aug; 123(7):074328. PubMed ID: 16229591
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Density functional theory-based prediction of the formation constants of complexes of ammonia in aqueous solution: indications of the role of relativistic effects in the solution chemistry of gold(I).
    Hancock RD; Bartolotti LJ
    Inorg Chem; 2005 Oct; 44(20):7175-83. PubMed ID: 16180881
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The crucial role of dispersion in the cohesion of nonbridged binuclear Os --> Cr and Os --> W adducts.
    Grimme S; Djukic JP
    Inorg Chem; 2010 Mar; 49(6):2911-9. PubMed ID: 20143784
    [TBL] [Abstract][Full Text] [Related]  

  • 6. New model core potentials for gold.
    Zeng T; Klobukowski M
    J Chem Phys; 2009 May; 130(20):204107. PubMed ID: 19485437
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Relativistic Effects on Donor-Acceptor Interactions in Coinage Metal Carbonyl Complexes [TM(CO)
    Poggel C; Frenking G
    Chemistry; 2018 Aug; 24(45):11675-11682. PubMed ID: 29718560
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Performance of relativistic effective core potentials in DFT calculations on actinide compounds.
    Odoh SO; Schreckenbach G
    J Phys Chem A; 2010 Feb; 114(4):1957-63. PubMed ID: 20039716
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Understanding the Electronic Factors Responsible for Ligand Spin-Orbit NMR Shielding in Transition-Metal Complexes.
    Vícha J; Foroutan-Nejad C; Pawlak T; Munzarová ML; Straka M; Marek R
    J Chem Theory Comput; 2015 Apr; 11(4):1509-17. PubMed ID: 26574362
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Two-component relativistic hybrid density functional computations of nuclear spin-spin coupling tensors using Slater-type basis sets and density-fitting techniques.
    Autschbach J
    J Chem Phys; 2008 Sep; 129(9):094105. PubMed ID: 19044863
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Understanding lead chemistry from topological insights: the transition between holo- and hemidirected structures within the [Pb(CO)n]2+ model series.
    Gourlaouen C; Gérard H; Piquemal JP; Parisel O
    Chemistry; 2008; 14(9):2730-43. PubMed ID: 18232031
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Linear M[triple bond]E-Me versus bent M-E-Me: bonding analysis in heavier metal-ylidyne complexes [(Cp)(CO)2M[triple bond]EMe] and metallo-ylidenes [(Cp)(CO)3M-EMe] (M = Cr, Mo, W; E = Si, Ge, Sn, Pb).
    Pandey KK; Lledós A
    Inorg Chem; 2009 Apr; 48(7):2748-59. PubMed ID: 19256519
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Covalency in AnCp4 (An = Th-Cm): a comparison of molecular orbital, natural population and atoms-in-molecules analyses.
    Tassell MJ; Kaltsoyannis N
    Dalton Trans; 2010 Aug; 39(29):6719-25. PubMed ID: 20631951
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. NMR properties of platinum--thallium bonded complexes: analysis of relativistic density functional theory results.
    Le Guennic B; Matsumoto K; Autschbach J
    Magn Reson Chem; 2004 Oct; 42 Spec no():S99-S116. PubMed ID: 15366046
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Bonding analysis using localized relativistic orbitals: water, the ultrarelativistic case and the heavy homologues H2X (X = Te, Po, eka-Po).
    Dubillard S; Rota JB; Saue T; Faegri K
    J Chem Phys; 2006 Apr; 124(15):154307. PubMed ID: 16674226
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Electric field gradients in Hg compounds: molecular orbital (MO) analysis and comparison of 4-component and 2-component (ZORA) methods.
    Arcisauskaite V; Knecht S; Sauer SP; Hemmingsen L
    Phys Chem Chem Phys; 2012 Dec; 14(46):16070-9. PubMed ID: 23111689
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Covalent gold.
    Wang LS
    Phys Chem Chem Phys; 2010 Aug; 12(31):8694-705. PubMed ID: 20567749
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Relativistic density functional theory study of dioxoactinide(VI) and -(V) complexation with alaskaphyrin and related Schiff-base macrocyclic ligands.
    Shamov GA; Schreckenbach G
    J Phys Chem A; 2006 Aug; 110(30):9486-99. PubMed ID: 16869700
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Binding of propene on small gold clusters and on Au(111): simple rules for binding sites and relative binding energies.
    Chrétien S; Gordon MS; Metiu H
    J Chem Phys; 2004 Aug; 121(8):3756-66. PubMed ID: 15303944
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.