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 *

263 related articles for article (PubMed ID: 22258427)

  • 1. Fully relativistic coupled cluster and DFT study of electric field gradients at Hg in 199Hg compounds.
    Arcisauskaite V; Knecht S; Sauer SP; Hemmingsen L
    Phys Chem Chem Phys; 2012 Feb; 14(8):2651-7. PubMed ID: 22258427
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. The nuclear electric quadrupole moment of antimony from the molecular method.
    Haiduke RL; da Silva AB; Visscher L
    J Chem Phys; 2006 Aug; 125(6):64301. PubMed ID: 16942280
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Calculations of nuclear quadrupole coupling in noble gas-noble metal fluorides: interplay of relativistic and electron correlation effects.
    Lantto P; Vaara J
    J Chem Phys; 2006 Nov; 125(17):174315. PubMed ID: 17100447
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Nuclear electric quadrupole moment of gold.
    Belpassi L; Tarantelli F; Sgamellotti A; Quiney HM; van Stralen JN; Visscher L
    J Chem Phys; 2007 Feb; 126(6):064314. PubMed ID: 17313222
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Reappraisal of nuclear quadrupole moments of atomic halogens via relativistic coupled cluster linear response theory for the ionization process.
    Chaudhuri RK; Chattopadhyay S; Mahapatra US
    J Phys Chem A; 2013 Nov; 117(47):12616-27. PubMed ID: 24171543
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: a comparison of three relativistic computational methods.
    Arcisauskaite V; Melo JI; Hemmingsen L; Sauer SP
    J Chem Phys; 2011 Jul; 135(4):044306. PubMed ID: 21806118
    [TBL] [Abstract][Full Text] [Related]  

  • 8. The quadrupole moment of the 3/2+ nuclear ground state of 197Au from electric field gradient relativistic coupled cluster and density-functional theory of small molecules and the solid state.
    Schwerdtfeger P; Bast R; Gerry MC; Jacob CR; Jansen M; Kellö V; Mudring AV; Sadlej AJ; Saue T; Söhnel T; Wagner FE
    J Chem Phys; 2005 Mar; 122(12):124317. PubMed ID: 15836388
    [TBL] [Abstract][Full Text] [Related]  

  • 9. The nuclear electric quadrupole moment of copper.
    Santiago RT; Teodoro TQ; Haiduke RL
    Phys Chem Chem Phys; 2014 Jun; 16(23):11590-6. PubMed ID: 24806277
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Theoretical predictions of nuclear magnetic resonance parameters in a novel organo-xenon species: chemical shifts and nuclear quadrupole couplings in HXeCCH.
    Straka M; Lantto P; Räsänen M; Vaara J
    J Chem Phys; 2007 Dec; 127(23):234314. PubMed ID: 18154389
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Nuclear quadrupole moment of 197Au from high-accuracy atomic calculations.
    Yakobi H; Eliav E; Kaldor U
    J Chem Phys; 2007 May; 126(18):184305. PubMed ID: 17508801
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Relativistic corrections to electrical first-order properties using direct perturbation theory.
    Stopkowicz S; Gauss J
    J Chem Phys; 2008 Oct; 129(16):164119. PubMed ID: 19045259
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer.
    Hanni M; Lantto P; Ilias M; Jensen HJ; Vaara J
    J Chem Phys; 2007 Oct; 127(16):164313. PubMed ID: 17979344
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Local unitary transformation method toward practical electron correlation calculations with scalar relativistic effect in large-scale molecules.
    Seino J; Nakai H
    J Chem Phys; 2013 Jul; 139(3):034109. PubMed ID: 23883012
    [TBL] [Abstract][Full Text] [Related]  

  • 15. The quadrupole moment of the Sb nucleus from molecular microwave data and calculated relativistic electric-field gradients.
    Demovic L; Kellö V; Sadlej AJ; Cooke SA
    J Chem Phys; 2006 May; 124(18):184308. PubMed ID: 16709107
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory.
    Stopkowicz S; Gauss J
    J Chem Phys; 2011 May; 134(20):204106. PubMed ID: 21639423
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Relativistic effects in HgHe and HgXe CCSD(T) ground state potential curves. Low-density viscosity simulations of Hg:Xe mixture.
    Bučinský L; Biskupič S; Ilčin M; Lukeš V; Laurinc V
    J Comput Chem; 2011 Jan; 32(2):356-67. PubMed ID: 20662077
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A comparative relativistic DFT and ab initio study on the structure and thermodynamics of the oxofluorides of uranium(IV), (V) and (VI).
    Shamov GA; Schreckenbach G; Vo TN
    Chemistry; 2007; 13(17):4932-47. PubMed ID: 17373000
    [TBL] [Abstract][Full Text] [Related]  

  • 19. High-level ab initio predictions for the ionization energies and heats of formation of five-membered-ring molecules: thiophene, furan, pyrrole, 1,3-cyclopentadiene, and borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH).
    Lo PK; Lau KC
    J Phys Chem A; 2011 Feb; 115(5):932-9. PubMed ID: 21210670
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Refinement of borate structures from 11B MAS NMR spectroscopy and density functional theory calculations of 11B electric field gradients.
    Hansen MR; Madsen GK; Jakobsen HJ; Skibsted J
    J Phys Chem A; 2005 Mar; 109(9):1989-97. PubMed ID: 16833533
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.