An investigation of the quantum chemical
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Jensen, Vidar R.; B�rve, Knut J.
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Article
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1998
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John Wiley and Sons
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English
⚖ 264 KB
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Insertion of ethylene into the Ti᎐methyl bond in TiH CH q is 2 3 chosen as a model reaction for investigating the performance of a range of contemporary quantum chemical models in polymerization studies. Basis set effects are investigated at the self-consistent-field level, covering Hartree᎐Fock, pu