Reaction path for the proton transfer NH4 +/NH3; an ab initio SCF-LCAO-MO study
- 1 January 1972
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 14,p. 817-818
- https://doi.org/10.1039/c39720000817
Abstract
The proton jump from NH4 + to NH3 is found to occur by a contraction of the associated species NH4 +⋯ NH3, with a computed energy barrier of 2·5 kcal mol–1.Keywords
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