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 *

231 related articles for article (PubMed ID: 20821407)

  • 1. First-principles calculation of parameters of electron paramagnetic resonance spectroscopy in solids.
    Kadantsev ES; Ziegler T
    Magn Reson Chem; 2010 Dec; 48 Suppl 1():S2-10. PubMed ID: 20821407
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Implementation of a DFT-based method for the calculation of the Zeeman g-tensor in periodic systems with the use of numerical and Slater-type atomic orbitals.
    Kadantsev ES; Ziegler T
    J Phys Chem A; 2009 Feb; 113(7):1327-34. PubMed ID: 19173640
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Implementation of a density functional theory-based method for the calculation of the hyperfine A-tensor in periodic systems with the use of numerical and Slater type atomic orbitals: application to paramagnetic defects.
    Kadantsev ES; Ziegler T
    J Phys Chem A; 2008 May; 112(19):4521-6. PubMed ID: 18412322
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Calculating electron paramagnetic resonance g-matrices for triplet state molecules from multireference spin-orbit configuration interaction wave functions.
    Tatchen J; Kleinschmidt M; Marian CM
    J Chem Phys; 2009 Apr; 130(15):154106. PubMed ID: 19388735
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Pulsed EPR and NMR spectroscopy of paramagnetic iron porphyrinates and related iron macrocycles: how to understand patterns of spin delocalization and recognize macrocycle radicals.
    Walker FA
    Inorg Chem; 2003 Jul; 42(15):4526-44. PubMed ID: 12870942
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Assessment of periodic and cluster-in-vacuo models for first principles calculation of EPR parameters of paramagnetic defects in crystals: Rh2+ defects in NaCl as case study.
    Sakhabutdinova N; Van Yperen-De Deyne A; Pauwels E; Van Speybroeck V; Vrielinck H; Callens F; Waroquier M
    J Phys Chem A; 2011 Mar; 115(9):1721-33. PubMed ID: 21299236
    [TBL] [Abstract][Full Text] [Related]  

  • 7. General analysis of (14)N (I = 1) electron spin echo envelope modulation.
    Lee HI; Doan PE; Hoffman BM
    J Magn Reson; 1999 Sep; 140(1):91-107. PubMed ID: 10479552
    [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. Improving the calculation of Electron Paramagnetic Resonance hyperfine coupling tensors for d-block metals.
    HedegÄrd ED; Kongsted J; Sauer SP
    Phys Chem Chem Phys; 2012 Aug; 14(30):10669-76. PubMed ID: 22785432
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Structure of the charge separated state P865(+)Q(A)- in the photosynthetic reaction centers of Rhodobacter sphaeroides by quantum beat oscillations and high-field electron paramagnetic resonance: evidence for light-induced Q(A)- reorientation.
    Heinen U; Utschig LM; Poluektov OG; Link G; Ohmes E; Kothe G
    J Am Chem Soc; 2007 Dec; 129(51):15935-46. PubMed ID: 18052250
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Calculation of the 4,5-dihydro-1,3,2-dithiazolyl radical g tensor components by the coupled-perturbed Kohn-Sham hybrid density functional and configuration interaction methods: a comparative study.
    Mattar SM; Durelle J
    Magn Reson Chem; 2010 Dec; 48 Suppl 1():S122-31. PubMed ID: 20625978
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Simulation of slow-motion CW EPR spectrum using stochastic Liouville equation for an electron spin coupled to two nuclei with arbitrary spins: matrix elements of the Liouville superoperator.
    Misra SK
    J Magn Reson; 2007 Nov; 189(1):59-77. PubMed ID: 17881269
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Geometrical embedding governs a dramatic variation of electron paramagnetic resonance hyperfine coupling constants of disulfide radical anions.
    Dumont E; Ferré N
    J Phys Chem B; 2011 May; 115(20):6776-83. PubMed ID: 21542581
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Direct calculation of (1)H(2)O T(1) NMRD profiles and EPR lineshapes for the electron spin quantum numbers S = 1, 3/2, 2, 5/2, 3, 7/2, based on the stochastic Liouville equation combined with Brownian dynamics simulation.
    Aman K; Westlund PO
    Phys Chem Chem Phys; 2007 Feb; 9(6):691-700. PubMed ID: 17268680
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Orientational anisotropic studies by field rotation technique: near zero-field pulsed EPR experiments of pentacene doped in p-terphenyl.
    Lang J; Sloop DJ; Lin TS
    J Magn Reson; 2005 Oct; 176(2):249-56. PubMed ID: 16061413
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Comparative density-functional study of the electron paramagnetic resonance parameters of amavadin.
    Remenyi C; Munzarova ML; Kaupp M
    J Phys Chem B; 2005 Mar; 109(9):4227-33. PubMed ID: 16851485
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The Mn(2+)-bicarbonate complex in a frozen solution revisited by pulse W-band ENDOR.
    Potapov A; Goldfarb D
    Inorg Chem; 2008 Nov; 47(22):10491-8. PubMed ID: 18947176
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Sum-over-states based multireference ab initio calculation of EPR spin Hamiltonian parameters for transition metal complexes. A case study.
    Neese F
    Magn Reson Chem; 2004 Oct; 42 Spec no():S187-98. PubMed ID: 15366053
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 12.