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 *

125 related articles for article (PubMed ID: 17867736)

  • 1. Making four- and two-component relativistic density functional methods fully equivalent based on the idea of "from atoms to molecule".
    Peng D; Liu W; Xiao Y; Cheng L
    J Chem Phys; 2007 Sep; 127(10):104106. PubMed ID: 17867736
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory.
    Liu W; Peng D
    J Chem Phys; 2006 Jul; 125(4):44102. PubMed ID: 16942129
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Time-dependent quasirelativistic density-functional theory based on the zeroth-order regular approximation.
    Peng D; Zou W; Liu W
    J Chem Phys; 2005 Oct; 123(14):144101. PubMed ID: 16238368
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Four-component relativistic Kohn-Sham theory.
    Saue T; Helgaker T
    J Comput Chem; 2002 Jun; 23(8):814-23. PubMed ID: 12012358
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Four-component relativistic theory for nuclear magnetic shielding constants: the orbital decomposition approach.
    Xiao Y; Peng D; Liu W
    J Chem Phys; 2007 Feb; 126(8):081101. PubMed ID: 17343433
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Accurate and efficient treatment of two-electron contributions in quasirelativistic high-order Douglas-Kroll density-functional calculations.
    van Wüllen C; Michauk C
    J Chem Phys; 2005 Nov; 123(20):204113. PubMed ID: 16351246
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Relativistic dynamics of half-spin particles in a homogeneous magnetic field: an atom with nucleus of spin 12.
    Misra A; Datta SN
    J Chem Phys; 2005 Aug; 123(6):64101. PubMed ID: 16122294
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Resolution of identity Dirac-Kohn-Sham method using the large component only: Calculations of g-tensor and hyperfine tensor.
    Komorovský S; Repiský M; Malkina OL; Malkin VG; Malkin I; Kaupp M
    J Chem Phys; 2006 Feb; 124(8):084108. PubMed ID: 16512709
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Relativistic electronic structure theory.
    Nakajima T; Yanai T; Hirao K
    J Comput Chem; 2002 Jun; 23(8):847-60. PubMed ID: 12012361
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A systematic sequence of relativistic approximations.
    Dyall KG
    J Comput Chem; 2002 Jun; 23(8):786-93. PubMed ID: 12012355
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Density functional calculations of molecular parity-violating effects within the zeroth-order regular approximation.
    Berger R; van Wüllen C
    J Chem Phys; 2005 Apr; 122(13):134316. PubMed ID: 15847474
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Gradients for two-component quasirelativistic methods. Application to dihalogenides of element 116.
    van Wüllen C; Langermann N
    J Chem Phys; 2007 Mar; 126(11):114106. PubMed ID: 17381195
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quasirelativistic theory equivalent to fully relativistic theory.
    Kutzelnigg W; Liu W
    J Chem Phys; 2005 Dec; 123(24):241102. PubMed ID: 16396527
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Mean field linear response within the elimination of the small component formalism to evaluate relativistic effects on magnetic properties.
    Roura PG; Melo JI; Ruiz de Azúa MC; Giribet CG
    J Chem Phys; 2006 Aug; 125(6):64107. PubMed ID: 16942273
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Two-component relativistic density-functional calculations of the dimers of the halogens from bromine through element 117 using effective core potential and all-electron methods.
    Mitin AV; van Wüllen C
    J Chem Phys; 2006 Feb; 124(6):64305. PubMed ID: 16483205
    [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. Comment on "Quasirelativistic theory equivalent to fully relativistic theory" [J. Chem. Phys. 123, 241102 (2005)].
    Filatov M
    J Chem Phys; 2006 Sep; 125(10):107101; discussion 107102. PubMed ID: 16999553
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The relativistic complete active-space second-order perturbation theory with the four-component Dirac Hamiltonian.
    Abe M; Nakajima T; Hirao K
    J Chem Phys; 2006 Dec; 125(23):234110. PubMed ID: 17190550
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Relativistic calculation of indirect NMR spin-spin couplings using the Douglas-Kroll-Hess approximation.
    Melo JI; Ruiz de Azúa MC; Peralta JE; Scuseria GE
    J Chem Phys; 2005 Nov; 123(20):204112. PubMed ID: 16351245
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.