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A theoretical study of the reaction of ground-state silicon with ethylene and acetylene

โœ Scribed by Su, Ming Der; Amos, Roger D.; Handy, Nicholas C.


Book ID
126021613
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
629 KB
Volume
112
Category
Article
ISSN
0002-7863

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A theoretical study of interaction of ethylene with Cuz is considered using SCF/CASSCF/MP2 methods. The calculated dissociation energy is in good agreement with available experimental data. Our studies reveal that the perpendicular approach of Cu2 is more favored than the parallel approach. The stro