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 *

297 related articles for article (PubMed ID: 24320371)

  • 1. Spin-free Dirac-Coulomb calculations augmented with a perturbative treatment of spin-orbit effects at the Hartree-Fock level.
    Cheng L; Stopkowicz S; Gauss J
    J Chem Phys; 2013 Dec; 139(21):214114. PubMed ID: 24320371
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Analytical evaluation of first-order electrical properties based on the spin-free Dirac-Coulomb Hamiltonian.
    Cheng L; Gauss J
    J Chem Phys; 2011 Jun; 134(24):244112. PubMed ID: 21721617
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Perturbative treatment of spin-orbit coupling within spin-free exact two-component theory.
    Cheng L; Gauss J
    J Chem Phys; 2014 Oct; 141(16):164107. PubMed ID: 25362272
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory.
    Stopkowicz S; Gauss J
    J Chem Phys; 2011 May; 134(20):204106. PubMed ID: 21639423
    [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. Perturbative treatment of scalar-relativistic effects in coupled-cluster calculations of equilibrium geometries and harmonic vibrational frequencies using analytic second-derivative techniques.
    Michauk C; Gauss J
    J Chem Phys; 2007 Jul; 127(4):044106. PubMed ID: 17672680
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Multiconfiguration Dirac-Hartree-Fock adjusted energy-consistent pseudopotential for uranium: spin-orbit configuration interaction and Fock-space coupled-cluster study of U4+ and U5+.
    Weigand A; Cao X; Vallet V; Flament JP; Dolg M
    J Phys Chem A; 2009 Oct; 113(43):11509-16. PubMed ID: 19601603
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Accurate relativistic energy-consistent pseudopotentials for the superheavy elements 111 to 118 including quantum electrodynamic effects.
    Hangele T; Dolg M; Hanrath M; Cao X; Schwerdtfeger P
    J Chem Phys; 2012 Jun; 136(21):214105. PubMed ID: 22697528
    [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. Direct perturbation theory in terms of energy derivatives: scalar-relativistic treatment up to sixth order.
    Schwalbach W; Stopkowicz S; Cheng L; Gauss J
    J Chem Phys; 2011 Nov; 135(19):194114. PubMed ID: 22112073
    [TBL] [Abstract][Full Text] [Related]  

  • 11. An atomic mean-field spin-orbit approach within exact two-component theory for a non-perturbative treatment of spin-orbit coupling.
    Liu J; Cheng L
    J Chem Phys; 2018 Apr; 148(14):144108. PubMed ID: 29655325
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Analytic second derivatives in closed-shell coupled-cluster theory with spin-orbit coupling.
    Wang F; Gauss J
    J Chem Phys; 2009 Oct; 131(16):164113. PubMed ID: 19894933
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interaction.
    Seino J; Nakai H
    J Chem Phys; 2012 Oct; 137(14):144101. PubMed ID: 23061833
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Analytic evaluation of first-order properties within the mean-field variant of spin-free exact two-component theory.
    Kirsch T; Engel F; Gauss J
    J Chem Phys; 2019 May; 150(20):204115. PubMed ID: 31153222
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Cost-Effective Treatment of Scalar Relativistic Effects for Multireference Systems: A CASSCF Implementation Based on the Spin-free Dirac-Coulomb Hamiltonian.
    Lipparini F; Gauss J
    J Chem Theory Comput; 2016 Sep; 12(9):4284-95. PubMed ID: 27464026
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Scalar Breit interaction for molecular calculations.
    Sun S; Ehrman J; Zhang T; Sun Q; Dyall KG; Li X
    J Chem Phys; 2023 May; 158(17):. PubMed ID: 37139994
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Closed-shell coupled-cluster theory with spin-orbit coupling.
    Wang F; Gauss J; van Wüllen C
    J Chem Phys; 2008 Aug; 129(6):064113. PubMed ID: 18715057
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Local unitary transformation method toward practical electron correlation calculations with scalar relativistic effect in large-scale molecules.
    Seino J; Nakai H
    J Chem Phys; 2013 Jul; 139(3):034109. PubMed ID: 23883012
    [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 15.