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 *

289 related articles for article (PubMed ID: 23050748)

  • 1. Shielding and indirect spin-spin coupling tensors in the presence of a heavy atom: an experimental and theoretical study of bis(phenylethynyl)mercury.
    Gryff-Keller A; Kraska-Dziadecka A; Molchanov S; Wodyński A
    J Phys Chem A; 2012 Nov; 116(43):10615-20. PubMed ID: 23050748
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Measurement of delta(1)J((199)Hg, (31)P) in [HgPCy3(OAc)2]2 and relativistic ZORA DFT investigations of mercury-phosphorus coupling tensors.
    Bryce DL; Courchesne NM; Perras FA
    Solid State Nucl Magn Reson; 2009 Dec; 36(4):182-91. PubMed ID: 20056396
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Magnitude of finite-nucleus-size effects in relativistic density functional computations of indirect NMR nuclear spin-spin coupling constants.
    Autschbach J
    Chemphyschem; 2009 Sep; 10(13):2274-83. PubMed ID: 19670399
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A combined experimental and quantum chemistry study of selenium chemical shift tensors.
    Demko BA; Eichele K; Wasylishen RE
    J Phys Chem A; 2006 Dec; 110(50):13537-50. PubMed ID: 17165881
    [TBL] [Abstract][Full Text] [Related]  

  • 5. An NMR and relativistic DFT investigation of one-bond nuclear spin-spin coupling in solid triphenyl group-14 chlorides.
    Willans MJ; Demko BA; Wasylishen RE
    Phys Chem Chem Phys; 2006 Jun; 8(23):2733-43. PubMed ID: 16763706
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Carbon and proton shielding tensors in methyl halides.
    Kantola AM; Lantto P; Vaara J; Jokisaari J
    Phys Chem Chem Phys; 2010 Mar; 12(11):2679-92. PubMed ID: 20200746
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Spin-spin coupling constants transmitted through Ir-H...H-N dihydrogen bonds.
    Olejniczak M; Pecul M
    Chemphyschem; 2009 Jun; 10(8):1247-59. PubMed ID: 19418508
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A comparison of two-component and four-component approaches for calculations of spin-spin coupling constants and NMR shielding constants of transition metal cyanides.
    Wodyński A; Repiský M; Pecul M
    J Chem Phys; 2012 Jul; 137(1):014311. PubMed ID: 22779652
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Interpretation of the longitudinal (13)C nuclear spin relaxation and chemical shift data for five bromoazaheterocycles supported by nonrelativistic and relativistic DFT calculations.
    Wodyński A; Kraska-Dziadecka A; Kubica D; Gryff-Keller A
    J Phys Chem A; 2015 Jan; 119(3):517-24. PubMed ID: 25536066
    [TBL] [Abstract][Full Text] [Related]  

  • 10. An investigation of lanthanum coordination compounds by using solid-state 139La NMR spectroscopy and relativistic density functional theory.
    Willans MJ; Feindel KW; Ooms KJ; Wasylishen RE
    Chemistry; 2005 Dec; 12(1):159-68. PubMed ID: 16224769
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Theoretical studies of nuclear magnetic resonance parameters for the proton-exchange pathways in porphyrin and porphycene.
    Cybulski H; Pecul M; Helgaker T; Jaszuński M
    J Phys Chem A; 2005 May; 109(18):4162-71. PubMed ID: 16833741
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Structural and spectroscopic studies on mercury(II) tribenzylphosphine complexes.
    Bowmaker GA; Assadollahzadeh B; Brodie AM; Ainscough EW; Freeman GH; Jameson GB
    Dalton Trans; 2005 May; (9):1602-12. PubMed ID: 15852109
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Relativistic effects on the NMR parameters of Si, Ge, Sn, and Pb alkynyl compounds: Scalar versus spin-orbit effects.
    Demissie TB
    J Chem Phys; 2017 Nov; 147(17):174301. PubMed ID: 29117685
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Molecular dynamics computational study of the 199Hg-199Hg NMR spin-spin coupling constants of [Hg-Hg-Hg]2+ in SO2 solution.
    Autschbach J; Sterzel M
    J Am Chem Soc; 2007 Sep; 129(36):11093-9. PubMed ID: 17713908
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Solid-state 115In and 31P NMR studies of triarylphosphine indium trihalide adducts.
    Chen F; Ma G; Bernard GM; Cavell RG; McDonald R; Ferguson MJ; Wasylishen RE
    J Am Chem Soc; 2010 Apr; 132(15):5479-93. PubMed ID: 20349956
    [TBL] [Abstract][Full Text] [Related]  

  • 17. (19)F spin-spin coupling in peri-difluoronaphthalene.
    Jaszuński M; Vaara J
    Phys Chem Chem Phys; 2009 Jun; 11(21):4136-40. PubMed ID: 19458815
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Analyzing NMR shielding tensors calculated with two-component relativistic methods using spin-free localized molecular orbitals.
    Autschbach J
    J Chem Phys; 2008 Apr; 128(16):164112. PubMed ID: 18447426
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A relativistic DFT study of one-bond fluorine-X indirect spin-spin coupling tensors.
    Feindel KW; Wasylishen RE
    Magn Reson Chem; 2004 Oct; 42 Spec no():S158-67. PubMed ID: 15366050
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Modeling of heavy-atom-ligand NMR spin-spin coupling in solution: molecular dynamics study and natural bond orbital analysis of Hg-C coupling constants.
    Zheng S; Autschbach J
    Chemistry; 2011 Jan; 17(1):161-73. PubMed ID: 21207613
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.