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Journal Abstract Search

195 related items for PubMed ID: 15252788

  • 1. On the importance of electron correlation effects for the pi-pi interactions in cyclophanes.
    Grimme S.
    Chemistry; 2004 Jul 19; 10(14):3423-9. PubMed ID: 15252788
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  • 6. Well-balanced basis sets for second-order Møller-Plesset treatment of argon-aromatic molecule complexes.
    Makarewicz J.
    J Chem Phys; 2004 Nov 08; 121(18):8755-68. PubMed ID: 15527339
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  • 7. Accurate calculation of the heats of formation for large main group compounds with spin-component scaled MP2 methods.
    Grimme S.
    J Phys Chem A; 2005 Apr 07; 109(13):3067-77. PubMed ID: 16833631
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  • 8. How to compute isomerization energies of organic molecules with quantum chemical methods.
    Grimme S, Steinmetz M, Korth M.
    J Org Chem; 2007 Mar 16; 72(6):2118-26. PubMed ID: 17286442
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  • 10. Is spin-component scaled second-order Møller-Plesset perturbation theory an appropriate method for the study of noncovalent interactions in molecules?
    Antony J, Grimme S.
    J Phys Chem A; 2007 Jun 07; 111(22):4862-8. PubMed ID: 17506533
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  • 11. The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations.
    Vincent MA, Hillier IH, Morgado CA, Burton NA, Shan X.
    J Chem Phys; 2008 Jan 28; 128(4):044313. PubMed ID: 18247955
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  • 16. Structures and interaction energies of stacked graphene-nucleobase complexes.
    Antony J, Grimme S.
    Phys Chem Chem Phys; 2008 May 21; 10(19):2722-9. PubMed ID: 18464987
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  • 17. Trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu; X = H, CH3, OCH3, OH, F): a surprising shortcoming of density functional theory.
    Izgorodina EI, Coote ML, Radom L.
    J Phys Chem A; 2005 Aug 25; 109(33):7558-66. PubMed ID: 16834125
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