Issue 16, 1989

Molecular mechanics: pentaco-ordinate phosphorus in MM2. Parameters for the 1–3 interactions. Evaluation tests

Abstract

A new set of parameters for 1–3 interactions around the pentaco-ordinate phosphorus atom adapted to Allinger's 1977 force field, has been worked out and tested on phosphorane structures.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1989, 1103-1105

Molecular mechanics: pentaco-ordinate phosphorus in MM2. Parameters for the 1–3 interactions. Evaluation tests

G. Robinet, M. Barthelat, V. Gasmi and J. Devillers, J. Chem. Soc., Chem. Commun., 1989, 1103 DOI: 10.1039/C39890001103

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