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Journal Abstract Search

2419 related items for PubMed ID: 19296607

  • 1. Accurate theoretical chemistry with coupled pair models.
    Neese F, Hansen A, Wennmohs F, Grimme S.
    Acc Chem Res; 2009 May 19; 42(5):641-8. PubMed ID: 19296607
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  • 2. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J.
    J Phys Condens Matter; 2008 Feb 13; 20(6):060301. PubMed ID: 21693862
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  • 4. Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method.
    Neese F, Wennmohs F, Hansen A.
    J Chem Phys; 2009 Mar 21; 130(11):114108. PubMed ID: 19317532
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  • 5. Ab initio calculations on halogen-bonded complexes and comparison with density functional methods.
    Lu YX, Zou JW, Fan JC, Zhao WN, Jiang YJ, Yu QS.
    J Comput Chem; 2009 Apr 15; 30(5):725-32. PubMed ID: 18727160
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  • 7. Discovery of a general method of solving the Schrödinger and dirac equations that opens a way to accurately predictive quantum chemistry.
    Nakatsuji H.
    Acc Chem Res; 2012 Sep 18; 45(9):1480-90. PubMed ID: 22686372
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  • 10. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
    Göltl F, Grüneis A, Bučko T, Hafner J.
    J Chem Phys; 2012 Sep 21; 137(11):114111. PubMed ID: 22998253
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  • 12. Molecular modeling of phenothiazine derivatives: self-assembling properties.
    Bende A, Grosu I, Turcu I.
    J Phys Chem A; 2010 Dec 02; 114(47):12479-89. PubMed ID: 21049959
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  • 17. Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria.
    Doser B, Lambrecht DS, Kussmann J, Ochsenfeld C.
    J Chem Phys; 2009 Feb 14; 130(6):064107. PubMed ID: 19222267
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  • 20. DNA base trimers: empirical and quantum chemical ab initio calculations versus experiment in vacuo.
    Kabelác M, Sherer EC, Cramer CJ, Hobza P.
    Chemistry; 2007 Feb 14; 13(7):2067-77. PubMed ID: 17146828
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