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.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

385 related items for PubMed ID: 21786996

  • 1. Analysis of self-consistency effects in range-separated density-functional theory with Møller-Plesset perturbation theory.
    Fromager E, Jensen HJ.
    J Chem Phys; 2011 Jul 21; 135(3):034116. PubMed ID: 21786996
    [Abstract] [Full Text] [Related]

  • 2. Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: theory and test calculations of second order approximation.
    Chen Z, Hoffmann MR.
    J Chem Phys; 2012 Jul 07; 137(1):014108. PubMed ID: 22779638
    [Abstract] [Full Text] [Related]

  • 3. Accurate calculation and modeling of the adiabatic connection in density functional theory.
    Teale AM, Coriani S, Helgaker T.
    J Chem Phys; 2010 Apr 28; 132(16):164115. PubMed ID: 20441266
    [Abstract] [Full Text] [Related]

  • 4. Basis convergence of range-separated density-functional theory.
    Franck O, Mussard B, Luppi E, Toulouse J.
    J Chem Phys; 2015 Feb 21; 142(7):074107. PubMed ID: 25702002
    [Abstract] [Full Text] [Related]

  • 5. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC, Li AH, Chao SD.
    J Phys Chem A; 2007 Nov 22; 111(46):11922-9. PubMed ID: 17963367
    [Abstract] [Full Text] [Related]

  • 6. Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
    Li AH, Chao SD.
    J Chem Phys; 2006 Sep 07; 125(9):094312. PubMed ID: 16965085
    [Abstract] [Full Text] [Related]

  • 7. Ab initio correlation functionals from second-order perturbation theory.
    Schweigert IV, Lotrich VF, Bartlett RJ.
    J Chem Phys; 2006 Sep 14; 125(10):104108. PubMed ID: 16999516
    [Abstract] [Full Text] [Related]

  • 8. Excitation energies from range-separated time-dependent density and density matrix functional theory.
    Pernal K.
    J Chem Phys; 2012 May 14; 136(18):184105. PubMed ID: 22583275
    [Abstract] [Full Text] [Related]

  • 9. Coulomb-only second-order perturbation theory in long-range-corrected hybrid density functionals.
    Janesko BG, Scuseria GE.
    Phys Chem Chem Phys; 2009 Nov 14; 11(42):9677-86. PubMed ID: 19851545
    [Abstract] [Full Text] [Related]

  • 10.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 11.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 12. 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 30; 29(10):1555-63. PubMed ID: 18432621
    [Abstract] [Full Text] [Related]

  • 13.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 14. Dispersion-corrected Møller-Plesset second-order perturbation theory.
    Tkatchenko A, DiStasio RA, Head-Gordon M, Scheffler M.
    J Chem Phys; 2009 Sep 07; 131(9):094106. PubMed ID: 19739848
    [Abstract] [Full Text] [Related]

  • 15. Semiempirical double-hybrid density functional with improved description of long-range correlation.
    Benighaus T, DiStasio RA, Lochan RC, Chai JD, Head-Gordon M.
    J Phys Chem A; 2008 Mar 27; 112(12):2702-12. PubMed ID: 18318517
    [Abstract] [Full Text] [Related]

  • 16. On the universality of the long-/short-range separation in multiconfigurational density-functional theory.
    Fromager E, Toulouse J, Jensen HJ.
    J Chem Phys; 2007 Feb 21; 126(7):074111. PubMed ID: 17328597
    [Abstract] [Full Text] [Related]

  • 17.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 18. Density-functional theory with effective potential expressed as a direct mapping of the external potential: applications to atomization energies and ionization potentials.
    Glushkov VN, Fesenko SI.
    J Chem Phys; 2006 Dec 21; 125(23):234111. PubMed ID: 17190551
    [Abstract] [Full Text] [Related]

  • 19.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 20. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.
    Schwabe T, Grimme S.
    Acc Chem Res; 2008 Apr 21; 41(4):569-79. PubMed ID: 18324790
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 20.