Activation parameters, a temperature-independent factor, an effective barrier height and a characteristic tunneling temperature, have been deduced from ab titio quantum chemical calculations and have been estimated from experiment. For the most recent calculations, agreement is satisfactory.
Ab initio sudden transition state theory for the F + H2 and F + D2 reactions
โ Scribed by Eli Pollak
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 520 KB
- Volume
- 119
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
A sudden IransiIion state theory IS used LO show that Ihe recenl ab initio computarlons or Fnsch. Bmhley and Schaerer or the saddle poim properries of the FH 2 system are compatible uilh thermal rale and molecular beam expcrimcnw
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