ChemInform Abstract: The Calculation of Unimolecular Decay Rates with RRKM and ab initio Methods
β Scribed by T. BAER
- Publisher
- John Wiley and Sons
- Year
- 2010
- Weight
- 23 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0931-7597
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## Abstract The mechanism of the reaction of H with SiHCl~3~ has been investigated at high level of __ab initio__ molecular orbital theory. Theoretical analysis provides a conclusive evidence that the main process occurring in this reaction is the hydrogen abstraction from the SiβH bond, the abstra
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