Ab initio calculations for the reactions CH2+ H2 and CH2+ CH2
- 1 January 1974
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 70, 1801-1809
- https://doi.org/10.1039/f29747001801
Abstract
Restricted and unrestricted ab initio calculations with a minimal basis set of STO-3G functions have been performed for the paths of the CH2+ H2 and CH2+ CH2 reactions. Results are in general agreement with experimental data and previous semi-empirical and approximate ab initio calculations.Keywords
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