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
Matrix Isolation and Theoretical Study of the Photochemical Reaction of PH3 with OVCl3 and CrCl2O2.
β Scribed by David A. Kayser; Bruce S. Ault
- Publisher
- John Wiley and Sons
- Year
- 2003
- Weight
- 55 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0931-7597
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An MP4 full,SDTQ r6-311qqG d,p rrMP2 full r6-311qq Ε½ . G d,p ab initio study was performed of the reactions of formyl and isoformyl cations with H O and NH , which play an important role in flame and 2 3 interstellar chemistries. Two different confluent channels were located leading to CO q H O q r