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Quantum chemical study of the primary step of ozone addition at the double bond of ethylene

✍ Scribed by B. E. Krisyuk; A. V. Maiorov

Book ID
110171384
Publisher
Springer
Year
2011
Tongue
English
Weight
180 KB
Volume
52
Category
Article
ISSN
0023-1584

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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