Mechanism of SYN addition of molecular fluorine to ethylene. An ab initio MO study
β Scribed by Tomoyasu Iwaoka; Chikara Kaneko; Atsushi Shigihara; Hiroshi Ichikawa
- Book ID
- 111701166
- Publisher
- John Wiley and Sons
- Year
- 1993
- Tongue
- English
- Weight
- 497 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0894-3230
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π SIMILAR VOLUMES
## Ε½ . Four calculation models I-IV were proposed for studying the protonation mechanism of ethylene over catalyst HZSM-5. Ab initio SCF-MO calculations were carried out at the STO-3G basis set level. From the calculation results of geometry optimization and Mulliken population of these models, it
The bond Zen#hs and angles obtained by means of a 4-31G basis agee aith electron diffraction ddtd\_ The calculated Si-0-Si bending potenti& shoning a minimum for the linear xrangement. is discussed \\ith regard to avadsble experimental information. Calcutated dipole moments and ionization potenti&