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385. Interactive Hückel MO Program
by F. A. Van Catledge, Central Research and Development Department, E. I. du Pont de Nemours and Co., Wilmington, Delaware, 19898 This program is an interactive simple Hückel program in which the maximum size of the system which can be considered can be easily adjusted. This program is organized to provide either extensive help to a new user or minimum assistance to an already experienced user. One also has the facility of adjusting the contents of the Hückel matrix as required. FORTRAN IV (DEC 10) Lines of Code: 720 Recommended Citation: F. A. Van Catledge, QCPE 13, (1981). |