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Atheoretical Case Study

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  • DFT Study on the Selectivity of Complexation of Metal Cations with a Dioxadithia Crown Ether Ligand

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  • Conformational Study of the Structure of 12-crown-4−Alkali Metal Cation Complexes

    A. A.El-Azhary andA. A.Al-Kahtani

    The Journal of Physical Chemistry A2005109 (35), 8041-8048

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  • The Thermodynamic Basis for Enantiodiscrimination:  Gas-Phase Measurement of the Enthalpy and Entropy of Chiral Amine Recognition by Dimethyldiketopyridino-18-crown-6

    YongjiangLiang,Jerald S.Bradshaw, andDavid V.Dearden

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  • Theoretical Study of Cation/Ether Complexes:  Alkali Metal Cations with 1,2-Dimethoxyethane and 12-Crown-4

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    The Journal of Physical Chemistry A1998102 (21), 3813-3819

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  • Complexation of alkali metal cations by crown-ether type podands with applications in solvent extraction: insights from quantum chemical calculations

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  • DFT modeling on the suitable crown ether architecture for complexation with Cs+ and Sr2+ metal ions

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  • Recoordination of a metal ion in the cavity of a crown compound: a theoretical study 2.* Effect of the metal ion— solvent interaction on the conformations of calcium complexes of arylazacrown ethers

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    Russian Chemical Bulletin200554 (9), 2042-2054

  • Pulsed-field ionization electron spectroscopy and binding energies of alkali metal-dimethyl ether and -dimethoxyethane complexes

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    The Journal of Chemical Physics2005123 (1), 014318

  • Recoordination of a metal ion in the cavity of an arylazacrown ether: Model study of the conformations and microsolvation of calcium complexes of arylazacrown ethers

    A. Ya.FreidzonA. A.Bagatur'YantsS. P.GromovM. V.Alfimov

    International Journal of Quantum Chemistry2004100 (4), 617-625

  • Rb+/Cs+ selectivity of benzo and tribenzo derivatives of the 21C7 crown ether. A density functional study

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  • Hydration to Benzo-15-crown-5, Benzo-18-crown-6 and the Benzo-18-crown-6-Potassium Ion Complex in the Low-Polar Organic Solvents.

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  • Interfacial Behavior of Ionophoric Systems: Molecular Dynamics Studies on 18-Crown-6 and Its Complexes at the Water-Chloroform Interface.

    L.TROXLERG.WIPFF

    Analytical Sciences199814 (1), 43-56

  • Не знаю, я его не видела. - Господи Иисусе, - простонал Стратмор.  - Ну прямо цирк.  - Он провел рукой по подбородку, на котором темнела полуторасуточная щетина.

     - А что «Следопыт».

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