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 *

374 related articles for article (PubMed ID: 16833492)

  • 1. Analysis of the effect of spin-orbit coupling on the electronic structure and excitation spectrum of the Bi2(2-) anion in (K-crypt)2Bi2 on the basis of relativistic electronic structure calculations.
    Dai D; Whangbo MH; Ugrinov A; Sevov SC; Wang F; Li L; Villesuzanne A; Alekseyev AB; Liebermann HP; Buenker RJ
    J Phys Chem A; 2005 Mar; 109(8):1675-83. PubMed ID: 16833492
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. Can density functional methods be used for open-shell actinide molecules? Comparison with multiconfigurational spin-orbit studies.
    Clavaguéra-Sarrio C; Vallet V; Maynau D; Marsden CJ
    J Chem Phys; 2004 Sep; 121(11):5312-21. PubMed ID: 15352824
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment.
    Xie RH; Bryant GW; Sun G; Nicklaus MC; Heringer D; Frauenheim T; Manaa MR; Smith VH; Araki Y; Ito O
    J Chem Phys; 2004 Mar; 120(11):5133-47. PubMed ID: 15267383
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Theoretical investigation of electronic structures and excitation energies of doubly N-confused porphyrin and its group 11 transition metal (III) complexes.
    Zhu Y; Zhou S; Kan Y; Yan L; Su Z
    J Chem Phys; 2007 Jun; 126(24):245106. PubMed ID: 17614594
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Electronic structure and molecular properties of the heptacyanorhenate [Re(CN)7]3- and [Re(CN)7]4- complexes.
    David J; Mendizábal F; Arratia-Pérez R
    J Phys Chem A; 2006 Jan; 110(3):1072-7. PubMed ID: 16420010
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Homoatomic stella quadrangula [Tl8]6- in Cs18Tl8O6, interplay of spin-orbit coupling, and Jahn-Teller distortion.
    Wedig U; Saltykov V; Nuss J; Jansen M
    J Am Chem Soc; 2010 Sep; 132(35):12458-63. PubMed ID: 20704287
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Relativistic configuration interaction study of the electronic spectrum of SnTe and SnTe+.
    Giri D; Pati K; Das KK
    J Chem Phys; 2006 Apr; 124(15):154301. PubMed ID: 16674220
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Spin-orbit vibronic coupling in 3Pi states of linear triatomic molecules.
    Mishra S; Poluyanov LV; Domcke W
    J Chem Phys; 2007 Apr; 126(13):134312. PubMed ID: 17430037
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Spin densities in two-component relativistic density functional calculations: noncollinear versus collinear approach.
    Van Wüllen C
    J Comput Chem; 2002 Jun; 23(8):779-85. PubMed ID: 12012354
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Electronic spectra of heteroatom-containing isoelectronic carbon chains C(2n)S and C2(n)Cl+ (n=1-5).
    Zhang J; Wu W; Wang L; Cao Z
    J Chem Phys; 2006 Mar; 124(12):124319. PubMed ID: 16599686
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Density functional theory study of indirect nuclear spin-spin coupling constants with spin-orbit corrections.
    Oprea CI; Rinkevicius Z; Vahtras O; Agren H; Ruud K
    J Chem Phys; 2005 Jul; 123(1):014101. PubMed ID: 16035827
    [TBL] [Abstract][Full Text] [Related]  

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

  • 16. EPR spectrum of the Y@C82 metallofullerene isolated in solid argon matrix: hyperfine structure from EPR spectroscopy and relativistic DFT calculations.
    Misochko EY; Akimov AV; Belov VA; Tyurin DA; Bubnov VP; Kareev IE; Yagubskii EB
    Phys Chem Chem Phys; 2010 Aug; 12(31):8863-9. PubMed ID: 20535405
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Spin-orbit configuration interaction study of the electronic structure of the 5f (2) manifold of U(4+) and the 5f manifold of U(5+).
    Danilo C; Vallet V; Flament JP; Wahlgren U
    J Chem Phys; 2008 Apr; 128(15):154310. PubMed ID: 18433212
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Model core potentials for studies of scalar-relativistic effects and spin-orbit coupling at Douglas-Kroll level. I. Theory and applications to Pb and Bi.
    Zeng T; Fedorov DG; Klobukowski M
    J Chem Phys; 2009 Sep; 131(12):124109. PubMed ID: 19791854
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. 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]  

    [Next]    [New Search]
    of 19.