THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section06


442. ANVPDA: Analysis of N Vertex Polyhedral Dihedral Angles

by B. Robertson, Department of Physics and Astronomy, University of Regina, Regina, Saskatchewan, Canada S4S 0A2

This program is for the analysis of dihedral angles which are formed by the intersection of pairs of contiguous faces of a polyhedron. This is the type of problem which one confronts in the crystallographic study of inorganic molecules.

This program embodies a new approach to such analysis and can include up to twelve coordinate compounds. In this approach, all vertices are moved along their radius vectors to the surface of a common sphere.

FORTRAN IV (IBM) Lines of Code: 100



Computational Chemistry List --- QCPE Main --- About This Site