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Journal Abstract Search

405 related items for PubMed ID: 19739848

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  • 3. Improved supermolecular second order Møller-Plesset intermolecular interaction energies using time-dependent density functional response theory.
    Hesselmann A.
    J Chem Phys; 2008 Apr 14; 128(14):144112. PubMed ID: 18412428
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  • 4. On geometries of stacked and H-bonded nucleic acid base pairs determined at various DFT, MP2, and CCSD(T) levels up to the CCSD(T)/complete basis set limit level.
    Dabkowska I, Jurecka P, Hobza P.
    J Chem Phys; 2005 May 22; 122(20):204322. PubMed ID: 15945739
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  • 5. How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH-pi and pi-pi interactions? A comparison to supermolecular calculations for the acetylene-benzene dimer.
    Tekin A, Jansen G.
    Phys Chem Chem Phys; 2007 Apr 14; 9(14):1680-7. PubMed ID: 17396179
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  • 7. 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
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  • 11. Hybrid correlation models based on active-space partitioning: correcting second-order Moller-Plesset perturbation theory for bond-breaking reactions.
    Bochevarov AD, Sherrill CD.
    J Chem Phys; 2005 Jun 15; 122(23):234110. PubMed ID: 16008433
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  • 12. Performance of spin-component-scaled Møller-Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions.
    Takatani T, David Sherrill C.
    Phys Chem Chem Phys; 2007 Dec 14; 9(46):6106-14. PubMed ID: 18167585
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  • 19. Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: a new efficient method to study intermolecular interaction energies.
    Hesselmann A, Jansen G, Schütz M.
    J Chem Phys; 2005 Jan 01; 122(1):14103. PubMed ID: 15638638
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  • 20. Validation of dispersion-corrected density functional theory approaches for ionic liquid systems.
    Zahn S, Kirchner B.
    J Phys Chem A; 2008 Sep 11; 112(36):8430-5. PubMed ID: 18707061
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