BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

234 related articles for article (PubMed ID: 18979036)

  • 1. Second-order exchange-induction energy of intermolecular interactions from coupled cluster density matrices and their cumulants.
    Korona T
    Phys Chem Chem Phys; 2008 Nov; 10(43):6509-19. PubMed ID: 18979036
    [TBL] [Abstract][Full Text] [Related]  

  • 2. First-order exchange energy of intermolecular interactions from coupled cluster density matrices and their cumulants.
    Korona T
    J Chem Phys; 2008 Jun; 128(22):224104. PubMed ID: 18554003
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Two-particle density matrix cumulant of coupled cluster theory.
    Korona T
    Phys Chem Chem Phys; 2008 Oct; 10(37):5698-705. PubMed ID: 18956104
    [TBL] [Abstract][Full Text] [Related]  

  • 4. One-electron properties and electrostatic interaction energies from the expectation value expression and wave function of singles and doubles coupled cluster theory.
    Korona T; Jeziorski B
    J Chem Phys; 2006 Nov; 125(18):184109. PubMed ID: 17115740
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Dispersion energy from density-fitted density susceptibilities of singles and doubles coupled cluster theory.
    Korona T; Jeziorski B
    J Chem Phys; 2008 Apr; 128(14):144107. PubMed ID: 18412423
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes.
    Zuchowski PS; Podeszwa R; Moszyński R; Jeziorski B; Szalewicz K
    J Chem Phys; 2008 Aug; 129(8):084101. PubMed ID: 19044812
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations.
    Misquitta AJ; Podeszwa R; Jeziorski B; Szalewicz K
    J Chem Phys; 2005 Dec; 123(21):214103. PubMed ID: 16356035
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. IV. Perturbative analysis.
    Kutzelnigg W; Mukherjee D
    J Chem Phys; 2004 Apr; 120(16):7350-68. PubMed ID: 15267645
    [TBL] [Abstract][Full Text] [Related]  

  • 9. On the role of higher-order correlation effects on the induction interactions between closed-shell molecules.
    Korona T
    Phys Chem Chem Phys; 2007 Dec; 9(45):6004-11. PubMed ID: 18004413
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Exchange-Dispersion Energy: A Formulation in Terms of Monomer Properties and Coupled Cluster Treatment of Intramonomer Correlation.
    Korona T
    J Chem Theory Comput; 2009 Oct; 5(10):2663-78. PubMed ID: 26631780
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Third-order interactions in symmetry-adapted perturbation theory.
    Patkowski K; Szalewicz K; Jeziorski B
    J Chem Phys; 2006 Oct; 125(15):154107. PubMed ID: 17059239
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Improved supermolecular second order Møller-Plesset intermolecular interaction energies using time-dependent density functional response theory.
    Hesselmann A
    J Chem Phys; 2008 Apr; 128(14):144112. PubMed ID: 18412428
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers.
    Misquitta AJ; Szalewicz K
    J Chem Phys; 2005 Jun; 122(21):214109. PubMed ID: 15974730
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Energy decomposition analysis of covalent bonds and intermolecular interactions.
    Su P; Li H
    J Chem Phys; 2009 Jul; 131(1):014102. PubMed ID: 19586091
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion.
    Patkowski K; Jeziorski B; Szalewicz K
    J Chem Phys; 2004 Apr; 120(15):6849-62. PubMed ID: 15267584
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Cumulant decomposition of reduced density matrices, multireference normal ordering, and Wicks theorem: A spin-free approach.
    Shamasundar KR
    J Chem Phys; 2009 Nov; 131(17):174109. PubMed ID: 19895000
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Analytic gradients for the state-specific multireference coupled cluster singles and doubles model.
    Prochnow E; Evangelista FA; Schaefer HF; Allen WD; Gauss J
    J Chem Phys; 2009 Aug; 131(6):064109. PubMed ID: 19691380
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The water-nitric oxide intermolecular potential-energy surface revisited.
    Cybulski H; Zuchowski PS; Fernández B; Sadlej J
    J Chem Phys; 2009 Mar; 130(10):104303. PubMed ID: 19292530
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers.
    Podeszwa R; Szalewicz K
    J Chem Phys; 2007 May; 126(19):194101. PubMed ID: 17523792
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Energy density analysis for second-order Møller-Plesset perturbation theory and coupled-cluster theory with singles and doubles: application to C2H4--CH4 complexes.
    Imamura Y; Nakai H
    J Comput Chem; 2008 Jul; 29(10):1555-63. PubMed ID: 18432621
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.