BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

742 related articles for article (PubMed ID: 21063618)

  • 1. Zero-point vibrational corrections to isotropic hyperfine coupling constants in polyatomic molecules.
    Chen X; Rinkevicius Z; Cao Z; Ruud K; Agren H
    Phys Chem Chem Phys; 2011 Jan; 13(2):696-707. PubMed ID: 21063618
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Role of zero-point vibrational corrections to carbon hyperfine coupling constants in organic π radicals.
    Chen X; Rinkevicius Z; Ruud K; Ågren H
    J Chem Phys; 2013 Feb; 138(5):054310. PubMed ID: 23406122
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging.
    Dracínský M; Kaminský J; Bour P
    J Chem Phys; 2009 Mar; 130(9):094106. PubMed ID: 19275395
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Hyperfine coupling constants of the azafullerenes C19N, C59N, C69N, and C75N.
    Schrier J; Whaley KB
    J Phys Chem A; 2006 Apr; 110(16):5386-90. PubMed ID: 16623466
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Relativistic spin-orbit effects on hyperfine coupling tensors by density-functional theory.
    Arbuznikov AV; Vaara J; Kaupp M
    J Chem Phys; 2004 Feb; 120(5):2127-39. PubMed ID: 15268351
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Density functional theory for hyperfine coupling constants with the restricted-unrestricted approach.
    Rinkevicius Z; Telyatnyk L; Vahtras O; Agren H
    J Chem Phys; 2004 Oct; 121(16):7614-23. PubMed ID: 15485221
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Computational studies of electron paramagnetic resonance parameters for paramagnetic molybdenum complexes. 1. Method validation on small and medium-sized systems.
    Fritscher J; Hrobarik P; Kaupp M
    J Phys Chem B; 2007 May; 111(17):4616-29. PubMed ID: 17408258
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Spin-spin contributions to the zero-field splitting tensor in organic triplets, carbenes and biradicals-a density functional and ab initio study.
    Sinnecker S; Neese F
    J Phys Chem A; 2006 Nov; 110(44):12267-75. PubMed ID: 17078624
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Density functional theory study of 14N isotropic hyperfine coupling constants of organic radicals.
    Hermosilla L; Calle P; Vega JM; Sieiro C
    J Phys Chem A; 2006 Dec; 110(50):13600-8. PubMed ID: 17165888
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Density functional theory study of the beta-carotene radical cation and deprotonated radicals.
    Gao Y; Focsan AL; Kispert LD; Dixon DA
    J Phys Chem B; 2006 Dec; 110(48):24750-6. PubMed ID: 17134239
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Anharmonic analysis of the vibrational spectrum of ketene by density functional theory using second-order perturbative approach.
    Gupta VP
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):870-6. PubMed ID: 17049910
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Effects of static and dynamic perturbations on isotropic hyperfine coupling constants in some quinone radicals.
    Fiedler SL; Eloranta J
    Magn Reson Chem; 2005 Mar; 43(3):231-4. PubMed ID: 15593351
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Density functional restricted-unrestricted approach for nonlinear properties: application to electron paramagnetic resonance parameters of square planar copper complexes.
    Rinkevicius Z; de Almeida KJ; Vahtras O
    J Chem Phys; 2008 Aug; 129(6):064109. PubMed ID: 18715053
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Temperature study of a glycine radical in the solid state adopting a DFT periodic approach: vibrational analysis and comparison with EPR experiments.
    Pauwels E; Verstraelen T; De Cooman H; Van Speybroeck V; Waroquier M
    J Phys Chem B; 2008 Jun; 112(25):7618-30. PubMed ID: 18512888
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Toward spectroscopic accuracy for open-shell systems: molecular structure and hyperfine coupling constants of H2CN, H2CP, NH2, and PH2 as test cases.
    Puzzarini C; Barone V
    J Chem Phys; 2010 Nov; 133(18):184301. PubMed ID: 21073217
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Zero-point corrections and temperature dependence of HD spin-spin coupling constants of heavy metal hydride and dihydrogen complexes calculated by vibrational averaging.
    Mort BC; Autschbach J
    J Am Chem Soc; 2006 Aug; 128(31):10060-72. PubMed ID: 16881634
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Hyperfine coupling in methyl radical isotopomers.
    McKenzie I; Brodovitch JC; Ghandi K; McCollum BM; Percival PW
    J Phys Chem A; 2007 Oct; 111(42):10625-34. PubMed ID: 17915842
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.
    Khvostichenko D; Choi A; Boulatov R
    J Phys Chem A; 2008 Apr; 112(16):3700-11. PubMed ID: 18348545
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Time-dependent density functional theory with the generalized restricted-unrestricted approach.
    Oprea CI; Telyatnyk L; Rinkevicius Z; Vahtras O; Agren H
    J Chem Phys; 2006 May; 124(17):174103. PubMed ID: 16689563
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 38.