A theoretical study of the comonomer eff
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V. L. Cruz; A. MuΓ±ozβEscalona; J. MartinezβSalazar
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Article
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1998
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John Wiley and Sons
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English
β 260 KB
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The PM3(tm) semiempirical method has been used to optimize the structures for the reactants and transition states of the first and second ethylene insertion processes into zirconocene catalytic systems. The results obtained for these reactions are compared with calculations published in the literatu