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by A. Lopata, ç. I. Kiss and K. Hérberger, Department of Physical Chemistry, Technical University, Budafoki ut 8, 1111 Budapest, Hungary

A new iterative procedure has been developed for the solution of problems arising from overdetermined experimental molecular geometries occurring in the computation of atomic Cartesian coordinates. The treatment of coordinate calculations is an extended version of Hilderbrandt's method. The iterative procedure adjusts the redundant internal coordinates used to define the system.

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