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Initiation mechanism in thermal decomposition of ethane

โœ Scribed by Yu.I. Koodr'yavtzeva; V.I. V'yed'yen'yeyev


Book ID
113172994
Publisher
Elsevier Science
Year
1966
Tongue
English
Weight
97 KB
Volume
6
Category
Article
ISSN
0021-9517

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Thermal decomposition pathways of ethane
โœ Mark S. Gordon; Thanh N. Truong; John A. Pople ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 339 KB

The alternate thermal decomposition pathways for ethane in its ground state have been investigated, using ab initio electronic structure calculations. Single-point energies were obtained at the full MP4/6-3 11 G\*\* level, using 6-3 lG\* geometries for reactant, products, and transition states. The