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Issue 19, 1989
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PM3 potential energy surfaces for phosphoryl transfer reactions

Abstract

The PM3 SCF-MO potential energy surface for phosphoryl group transfer shows pathways involving both five- and a three-co-ordinate species, the relative energies and geometries of which are influenced by both the nature of the leaving group and specific solvation effects.

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Article type: Paper
DOI: 10.1039/C39890001502
Citation: J. Chem. Soc., Chem. Commun., 1989,0, 1502-1504
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    PM3 potential energy surfaces for phosphoryl transfer reactions

    H. S. Rzepa and M. Yi, J. Chem. Soc., Chem. Commun., 1989, 0, 1502
    DOI: 10.1039/C39890001502

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