Issue 8, 1986

The geometry of a steroid from quantum mechanical calculation: progesterone

Abstract

A comparison of the molecular geometry of progesterone computed by semi-empirical molecular orbital methods with the X-ray crystallographic data suggests that calculation is a satisfactory source of structural parameters for molecules of this type.

Article information

Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1986, 1253-1254

The geometry of a steroid from quantum mechanical calculation: progesterone

J. M. Adelantado and W. G. Richards, J. Chem. Soc., Perkin Trans. 2, 1986, 1253 DOI: 10.1039/P29860001253

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