The optimum orbitals for the H2 + D⇌H + HD exchange reaction
William A. Goddard III, Robert C. Ladner
1969International Journal of Quantum Chemistry, 3(S3A), 63-664cited
Abstract
An initio calculations of the optimum generalized self‐consistent field orbitals of H2D have been carried out at various points along the reaction path for the three‐center exchange reaction, H2 + D⇋H + HD. The emphasis here is on a qualitative interpretation of the changes in these orbitals during the reaction.
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Cite this publication
III, W. A. G. & Ladner, R. C. (1969). The optimum orbitals for the H2 + D⇌H + HD exchange reaction. *International Journal of Quantum Chemistry*, *3*(S3A), 63-66. https://doi.org/10.1002/qua.560030711