On the calculation of the sphericity factor for fused hard sphere molecules
- 10 December 1988
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 65 (5), 1185-1193
- https://doi.org/10.1080/00268978800101681
Abstract
A general algorithm is presented to obtain the exposed surface area, volume, mean radius of curvature and sphericity factor of a molecule composed of fused hard spheres. The procedure, based on a Monte Carlo method, is easily programed. Results are compared with published data and values for interesting molecules are given.Keywords
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