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 *

154 related articles for article (PubMed ID: 21261346)

  • 1. NMR nuclear magnetic shielding anisotropy of linear molecules within the linear response within the elimination of the small component approach.
    Ruiz de Azúa M; Giribet CG; Melo JI
    J Chem Phys; 2011 Jan; 134(3):034123. PubMed ID: 21261346
    [TBL] [Abstract][Full Text] [Related]  

  • 2. (129)Xe chemical shift by the perturbational relativistic method: xenon fluorides.
    Lantto P; Vaara J
    J Chem Phys; 2007 Aug; 127(8):084312. PubMed ID: 17764253
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A simple scheme for magnetic balance in four-component relativistic Kohn-Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basis.
    Olejniczak M; Bast R; Saue T; Pecul M
    J Chem Phys; 2012 Jan; 136(1):014108. PubMed ID: 22239770
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Relativistic heavy-atom effects on heavy-atom nuclear shieldings.
    Lantto P; Romero RH; Gómez SS; Aucar GA; Vaara J
    J Chem Phys; 2006 Nov; 125(18):184113. PubMed ID: 17115744
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Molecular orbital analysis of the inverse halogen dependence of nuclear magnetic shielding in LaX₃, X = F, Cl, Br, I.
    Moncho S; Autschbach J
    Magn Reson Chem; 2010 Dec; 48 Suppl 1():S76-85. PubMed ID: 20586110
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Relativistic calculation of nuclear magnetic shielding tensor using the regular approximation to the normalized elimination of the small component. II. Consideration of perturbations in the metric operator.
    Maeda H; Ootani Y; Fukui H
    J Chem Phys; 2007 May; 126(17):174102. PubMed ID: 17492852
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Experimental and computational characterization of the 17O quadrupole coupling and magnetic shielding tensors for p-nitrobenzaldehyde and formaldehyde.
    Wu G; Mason P; Mo X; Terskikh V
    J Phys Chem A; 2008 Feb; 112(5):1024-32. PubMed ID: 18193848
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Hartree-Fock and density functional complete basis-set (CBS) predicted nuclear shielding anisotropy and shielding tensor components.
    Kupka T; Ruscic B; Botto RE
    Solid State Nucl Magn Reson; 2003 May; 23(3):145-67. PubMed ID: 12763561
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Parity nonconservation contribution to the nuclear magnetic resonance shielding constants of chiral molecules: a four-component relativistic study.
    Bast R; Schwerdtfeger P; Saue T
    J Chem Phys; 2006 Aug; 125(6):64504. PubMed ID: 16942295
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Probing local structure in zeolite frameworks: ultrahigh-field NMR measurements and accurate first-principles calculations of zeolite 29Si magnetic shielding tensors.
    Brouwer DH; Enright GD
    J Am Chem Soc; 2008 Mar; 130(10):3095-105. PubMed ID: 18281985
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Density-functional calculations of relativistic spin-orbit effects on nuclear magnetic shielding in paramagnetic molecules.
    Pennanen TO; Vaara J
    J Chem Phys; 2005 Nov; 123(17):174102. PubMed ID: 16375512
    [TBL] [Abstract][Full Text] [Related]  

  • 13. An alternative NMR method to determine nuclear shielding anisotropies for molecules in liquid-crystalline solutions with (13)C shielding anisotropy of methyl iodide as an example.
    Tallavaara P; Jokisaari J
    Phys Chem Chem Phys; 2008 Mar; 10(12):1681-7. PubMed ID: 18338070
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Electric field effects on the shielding constants of noble gases: a four-component relativistic Hartree-Fock study.
    Pecul M; Saue T; Ruud K; Rizzo A
    J Chem Phys; 2004 Aug; 121(7):3051-7. PubMed ID: 15291614
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Calculation of binary magnetic properties and potential energy curve in xenon dimer: second virial coefficient of (129)Xe nuclear shielding.
    Hanni M; Lantto P; Runeberg N; Jokisaari J; Vaara J
    J Chem Phys; 2004 Sep; 121(12):5908-19. PubMed ID: 15367019
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Zeroth order regular approximation approach to parity violating nuclear magnetic resonance shielding tensors.
    Nahrwold S; Berger R
    J Chem Phys; 2009 Jun; 130(21):214101. PubMed ID: 19508050
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Thermal averaging of the spin-rotation coupling in small molecules leads to an isotropic NMR shielding.
    Harbison GS
    J Magn Reson; 2011 Oct; 212(2):299-303. PubMed ID: 21835659
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac-Kohn-Sham equation.
    Komorovský S; Repiský M; Malkina OL; Malkin VG; Malkin Ondík I; Kaupp M
    J Chem Phys; 2008 Mar; 128(10):104101. PubMed ID: 18345871
    [TBL] [Abstract][Full Text] [Related]  

  • 19. NMR shielding constants in PH3, absolute shielding scale, and the nuclear magnetic moment of 31P.
    Lantto P; Jackowski K; Makulski W; Olejniczak M; Jaszuński M
    J Phys Chem A; 2011 Sep; 115(38):10617-23. PubMed ID: 21863791
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Fully relativistic calculations of NMR shielding tensors using restricted magnetically balanced basis and gauge including atomic orbitals.
    Komorovský S; Repiský M; Malkina OL; Malkin VG
    J Chem Phys; 2010 Apr; 132(15):154101. PubMed ID: 20423162
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.