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Aminoalkylation of Indoles with α-Polyfluoroalkylated Cyclic Imines : Aminoalkylation of Indoles

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      Most cited references 42

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      Generalized Gradient Approximation Made Simple

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        Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

        Gaussian basis sets of quadruple zeta valence quality for Rb-Rn are presented, as well as bases of split valence and triple zeta valence quality for H-Rn. The latter were obtained by (partly) modifying bases developed previously. A large set of more than 300 molecules representing (nearly) all elements-except lanthanides-in their common oxidation states was used to assess the quality of the bases all across the periodic table. Quantities investigated were atomization energies, dipole moments and structure parameters for Hartree-Fock, density functional theory and correlated methods, for which we had chosen Møller-Plesset perturbation theory as an example. Finally recommendations are given which type of basis set is used best for a certain level of theory and a desired quality of results.
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          Fully optimized contracted Gaussian basis sets for atoms Li to Kr

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            Author and article information

            Journal
            European Journal of Organic Chemistry
            Eur. J. Org. Chem.
            Wiley-Blackwell
            1434193X
            April 2013
            April 2013
            : 2013
            : 11
            : 2237-2245
            10.1002/ejoc.201201661
            © 2013

            http://doi.wiley.com/10.1002/tdm_license_1.1

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