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A quantum description of the chemical bond

✍ Scribed by Eberhart, Mark

Book ID
121299525
Publisher
Taylor and Francis Group
Year
2001
Tongue
English
Weight
734 KB
Volume
81
Category
Article
ISSN
1364-2812

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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