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 *

218 related articles for article (PubMed ID: 19530111)

  • 1. Excited states of OsO4: a comprehensive time-dependent relativistic density functional theory study.
    Zhang Y; Xu W; Sun Q; Zou W; Liu W
    J Comput Chem; 2010 Feb; 31(3):532-51. PubMed ID: 19530111
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A theoretical study of the excited states of AmO2n+, n=1,2,3.
    Notter FP; Dubillard S; Bolvin H
    J Chem Phys; 2008 Apr; 128(16):164315. PubMed ID: 18447447
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A simplified relativistic time-dependent density-functional theory formalism for the calculations of excitation energies including spin-orbit coupling effect.
    Wang F; Ziegler T
    J Chem Phys; 2005 Oct; 123(15):154102. PubMed ID: 16252937
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ab initio study of a Bi3+ impurity in Cs2NaYCl6 and Y2O3: comparison of perturbative and variational electron correlation methods.
    RĂ©al F; Vallet V; Flament JP; Schamps J
    J Chem Phys; 2006 Nov; 125(17):174709. PubMed ID: 17100463
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Spin-orbit effects in the photoabsorption of WAu12 and MoAu12: a relativistic time dependent density functional study.
    Stener M; Nardelli A; Fronzoni G
    J Chem Phys; 2008 Apr; 128(13):134307. PubMed ID: 18397064
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Relativistic two-component formulation of time-dependent current-density functional theory: application to the linear response of solids.
    Romaniello P; de Boeij PL
    J Chem Phys; 2007 Nov; 127(17):174111. PubMed ID: 17994811
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Excited states of PbF: a four-component relativistic study.
    Yamamoto S; Tatewaki H
    J Chem Phys; 2010 Feb; 132(5):054303. PubMed ID: 20136312
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Electronic spectrum of UO2(2+) and [UO2Cl4]2- calculated with time-dependent density functional theory.
    Pierloot K; van Besien E; van Lenthe E; Baerends EJ
    J Chem Phys; 2007 May; 126(19):194311. PubMed ID: 17523808
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Spin-orbit relativistic calculations of the core excitation spectra of SO2.
    Fronzoni G; De Francesco R; Stener M; Decleva P
    J Chem Phys; 2007 Apr; 126(13):134308. PubMed ID: 17430033
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Theoretical spectroscopy of the calcium dimer in the A 1Sigma(u)+, c3Pi(u), and a3Sigma(u)+ manifolds: an ab initio nonadiabatic treatment.
    Bussery-Honvault B; Launay JM; Korona T; Moszynski R
    J Chem Phys; 2006 Sep; 125(11):114315. PubMed ID: 16999482
    [TBL] [Abstract][Full Text] [Related]  

  • 11. High-order electron-correlation methods with scalar relativistic and spin-orbit corrections.
    Hirata S; Yanai T; Harrison RJ; Kamiya M; Fan PD
    J Chem Phys; 2007 Jan; 126(2):024104. PubMed ID: 17228940
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Analyzing molecular properties calculated with two-component relativistic methods using spin-free natural bond orbitals: NMR spin-spin coupling constants.
    Autschbach J
    J Chem Phys; 2007 Sep; 127(12):124106. PubMed ID: 17902892
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Spin-orbit relativistic long-range corrected time-dependent density functional theory for investigating spin-forbidden transitions in photochemical reactions.
    Nakata A; Tsuneda T; Hirao K
    J Chem Phys; 2011 Dec; 135(22):224106. PubMed ID: 22168679
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Comprehensive relativistic ab initio and density functional theory studies on PtH, PtF, PtCl, and Pt(NH(3))(2)Cl(2).
    Liu W; Franke R
    J Comput Chem; 2002 Apr; 23(5):564-75. PubMed ID: 11948583
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The role of relativity in the optical response of gold within the time-dependent current-density-functional theory.
    Romaniello P; de Boeij PL
    J Chem Phys; 2005 Apr; 122(16):164303. PubMed ID: 15945680
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Time-dependent four-component relativistic density functional theory for excitation energies.
    Gao J; Liu W; Song B; Liu C
    J Chem Phys; 2004 Oct; 121(14):6658-66. PubMed ID: 15473721
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The effective valence shell Hamiltonian calculations of spin-orbit splittings in small diatomic hydrides.
    Chang YW; Sun H
    J Phys Chem B; 2008 Dec; 112(50):16135-9. PubMed ID: 19367876
    [TBL] [Abstract][Full Text] [Related]  

  • 19. PtF6(2-) dianion and its detachment spectrum: a fully relativistic study.
    Pernpointner M; Cederbaum LS
    J Chem Phys; 2007 Apr; 126(14):144310. PubMed ID: 17444715
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Coupled-cluster studies of the lowest excited states of the 11-cis-retinal chromophore.
    Send R; Sundholm D
    Phys Chem Chem Phys; 2007 Jun; 9(22):2862-7. PubMed ID: 17538731
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.