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2 solutions.
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All calculations were performed using gradient corrected density functional method BLYP, by means of the Amsterdam Density Functional (ADF) program. We used the electronic configuration of molecular system described by a triple -ζ basis set on the metal center. A double -ζ basis set was used for ethylene as a monomer and methyl group as a model of polymer chain. For the other atoms, a single -ζ basis set was used
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DFT calculation has been widely used for structural determination of transition metal complexes, cf.; L. Deng, T. Zieglar, T. K. Woo, P. Margl, and L. Fan, Organometallics, 17, 3240 (1998). All calculations were performed using gradient corrected density functional method BLYP, by means of the Amsterdam Density Functional (ADF) program. We used the electronic configuration of molecular system described by a triple -ζ basis set on the metal center. A double -ζ basis set was used for ethylene as a monomer and methyl group as a model of polymer chain. For the other atoms, a single -ζ basis set was used.
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25
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0002035375
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note
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4 were added, in this order, to the solution.
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26
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0002800999
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Intrinsic viscosity [η] was measured in decalin at 135 °C using an Ubbelohde viscometer. Preparation of intrinsic viscosity measurement solution; 25 mg of polyethylene was dissolved into 25 mL of decalin at 135 °C
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0.7; R. Chiang, J. Polymer Sci., 36, 91 (1959). Intrinsic viscosity [η] was measured in decalin at 135 °C using an Ubbelohde viscometer. Preparation of intrinsic viscosity measurement solution; 25 mg of polyethylene was dissolved into 25 mL of decalin at 135 °C.
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Chiang, R.1
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