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Enthalpies of hydrogenation of the hexenes

✍ Scribed by D.W. Rogers; Evon Crooks; Kosol Dejroongruang


Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
491 KB
Volume
19
Category
Article
ISSN
0021-9614

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Calculation of enthalpies of hydrogenati
✍ Mustafa R. Ibrahim; Zacharia A. Fataftah; Paul von RaguΓ© Schleyer; Peter D. Stou πŸ“‚ Article πŸ“… 1987 πŸ› John Wiley and Sons 🌐 English βš– 679 KB

Sets of hydrogen molecule equivalents have been developed which permit the calculation of hydrogenation of different types of carbon-carbon bonds from ab initio total energies (3-21G and 6-31G\* basis sets, and, to a more limited extent, for MP2/6-31G\* data) of reactants and products. The calculate