Deuterium isotope effects and mechanism of the gas phase reaction [C3H7]+→[C3H5]+ + H2

Name: Work Video:
Duration: 3 min 30 s
Description: Abstract The deuterium kinetic isotope effect and the deuterium isotope effect upon kinetic energy release have been calculated for the loss of H 2 from the [C 3 H 7 ] + ion. The calculations are based on the transition state structure suggested recently from ab initio calculations on the reaction pathway. The results obtained are in good agreement with experimental data.
Georg Hvistendahl; Einar Uggerud
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