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The correlation between the value of α at the maximum reaction rate and the reaction mechanisms: A theoretical study

✍ Scribed by Xiang Gao; Dun Chen; David Dollimore

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
406 KB
Volume
223
Category
Article
ISSN
0040-6031

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## Abstract The mechanism of the cycloaddition reaction of singlet stannylene and ethylene or formaldehyde has been studied by using density functional theory. The geometrical parameters, harmonic vibrational frequencies and energies of stationary points for potential energy surface are calculated