Volume 62, 1966

Quantum-mechanical study of the transition state in the H3 system

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.

Article information

Article type
Paper

Trans. Faraday Soc., 1966,62, 2953-2954

Quantum-mechanical study of the transition state in the H3 system

H. C. Bowen and J. W. Linnett, Trans. Faraday Soc., 1966, 62, 2953 DOI: 10.1039/TF9666202953

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