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 *

545 related articles for article (PubMed ID: 16848572)

  • 1. A second-quantization framework for the unified treatment of relativistic and nonrelativistic molecular perturbations by response theory.
    Helgaker T; Hennum AC; Klopper W
    J Chem Phys; 2006 Jul; 125(2):24102. PubMed ID: 16848572
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Magnetic shielding constants calculated by the infinite-order Douglas-Kroll-Hess method with electron-electron relativistic corrections.
    Seino J; Hada M
    J Chem Phys; 2010 May; 132(17):174105. PubMed ID: 20459154
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Exact decoupling of the Dirac Hamiltonian. I. General theory.
    Reiher M; Wolf A
    J Chem Phys; 2004 Aug; 121(5):2037-47. PubMed ID: 15260757
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Relativistic corrections to electrical first-order properties using direct perturbation theory.
    Stopkowicz S; Gauss J
    J Chem Phys; 2008 Oct; 129(16):164119. PubMed ID: 19045259
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Leading-order relativistic effects on nuclear magnetic resonance shielding tensors.
    Manninen P; Ruud K; Lantto P; Vaara J
    J Chem Phys; 2005 Mar; 122(11):114107. PubMed ID: 15836201
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Direct perturbation theory in terms of energy derivatives: fourth-order relativistic corrections at the Hartree-Fock level.
    Stopkowicz S; Gauss J
    J Chem Phys; 2011 Feb; 134(6):064114. PubMed ID: 21322668
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Relativistic explicit correlation: coalescence conditions and practical suggestions.
    Li Z; Shao S; Liu W
    J Chem Phys; 2012 Apr; 136(14):144117. PubMed ID: 22502511
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A closed-shell coupled-cluster treatment of the Breit-Pauli first-order relativistic energy correction.
    Coriani S; Helgaker T; Jørgensen P; Klopper W
    J Chem Phys; 2004 Oct; 121(14):6591-8. PubMed ID: 15473713
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Second order explicitly correlated R12 theory revisited: a second quantization framework for treatment of the operators' partitionings.
    Noga J; Kedzuch S; Simunek J
    J Chem Phys; 2007 Jul; 127(3):034106. PubMed ID: 17655430
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Relativistic heavy-atom effects on heavy-atom nuclear shieldings.
    Lantto P; Romero RH; Gómez SS; Aucar GA; Vaara J
    J Chem Phys; 2006 Nov; 125(18):184113. PubMed ID: 17115744
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Decoupling of the Dirac equation correct to the third order for the magnetic perturbation.
    Ootani Y; Maeda H; Fukui H
    J Chem Phys; 2007 Aug; 127(8):084117. PubMed ID: 17764239
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Relativistic calculation of nuclear magnetic shielding tensor using the regular approximation to the normalized elimination of the small component. II. Consideration of perturbations in the metric operator.
    Maeda H; Ootani Y; Fukui H
    J Chem Phys; 2007 May; 126(17):174102. PubMed ID: 17492852
    [TBL] [Abstract][Full Text] [Related]  

  • 15. The one-particle Green's function method in the Dirac-Hartree-Fock framework. I. Second-order valence ionization energies of Ne through Xe.
    Pernpointner M; Trofimov AB
    J Chem Phys; 2004 Mar; 120(9):4098-106. PubMed ID: 15268576
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Theoretical predictions of nuclear magnetic resonance parameters in a novel organo-xenon species: chemical shifts and nuclear quadrupole couplings in HXeCCH.
    Straka M; Lantto P; Räsänen M; Vaara J
    J Chem Phys; 2007 Dec; 127(23):234314. PubMed ID: 18154389
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. 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]  

  • 19. 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]  

  • 20. Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer.
    Hanni M; Lantto P; Ilias M; Jensen HJ; Vaara J
    J Chem Phys; 2007 Oct; 127(16):164313. PubMed ID: 17979344
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 28.