Modeling of the active site in TiCl4MgCl2 based ZieglerNatta heterogeneous catalysts - PowerPoint PPT Presentation

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Modeling of the active site in TiCl4MgCl2 based ZieglerNatta heterogeneous catalysts

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... by 8,1 kcal/mole with respect to the other, even if the deformation necessary to ... DE = -16,8 kcal/mole - 9 - 3. Building the QM/MM model ... – PowerPoint PPT presentation

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