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206. SUPERCIS: Urey-Bradley Five-Atom Configuration
by Richard H. Mann, Department of Chemistry, Boston University, Boston, Massachusetts 02215 and William B. Dixon, Department of Chemistry, State University College, Oneonta, New York 13820 This subroutine calculates the Z matrix elements for five-atom configurations in a Urey-Bradley force field. FORTRAN IV Lines of Code: 404 Recommended Citation: R. H. Mann and W. B. Dixon, QCPE 11, 206 (1972). |