A G2 Study on CH Insertions into PH 3 , H 2 S, and HCl
β Scribed by Wang, Zhi-Xiang; Huang, Ming-Bao
- Book ID
- 126899933
- Publisher
- American Chemical Society
- Year
- 1999
- Tongue
- English
- Weight
- 93 KB
- Volume
- 103
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
The insertion reactions of the titanium atom cation Ti F into HF, HCl, H O, H S, NH , PH , CH , and SiH have been studied by ab initio molecular orbital 2 2 3 3 4 4 theory. All these reactions involve the initial formation of an intermediate complex followed by a hydrogen migration process via a tr
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## Abstract The cyanomethylidyne (CCN) has been the longβstanding subject of extensive theoretical and experimental studies on its structures and spectroscopies. However, there are few investigations on its reactivity. Our very recent theoretical work indicated that even with the simplest methane,