Quantum-mechanical study of the transition state in the H3 system
- 1 January 1966
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Transactions of the Faraday Society
- Vol. 62, 2953-2954
- https://doi.org/10.1039/tf9666202953
Abstract
Hirschfelder's wavefunction for H3 has been extended so that each 1s orbital used may take its optimum exponent. The activation energy is still in poor agreement with experiment and with Conroy's calculation.Keywords
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