Issue 19, 1989

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.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1989, 1502-1504

PM3 potential energy surfaces for phosphoryl transfer reactions

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

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Spotlight

Advertisements