Ab initio calculations on the effect of different basis sets and electron correlation on the transition state for the reactions HNC ? HCN and BCN ? BNC
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference59 articles.
1. Some Features of the CH3NC→CH3CN Potential Surface
2. Theoretical reaction coordinate for the methyl isocyanide isomerization
3. The intrinsic reaction coordinate. An ab initio calculation for HNC→HCN and H−+CH4→CH4+H−
4. The unimolecular isomerization of methyl isocyanide to methyl cyanide (acetonitrile)
5. Potential energy surface for the model unimolecular reaction HNC → HCN
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