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30. EXTHUC: Extended Hückel Theory Calculations
by Roald Hoffmann, Harvard University, Cambridge, Massachusetts 02138 This program performs calculations of the extended Hückel type for the first row elements, 2s and 2p orbitals and hydrogen ls orbitals. FORTRAN II (IBM 7090) Lines of Code: 1025 Recommended Citation: R. Hoffmann, QCPE 11, 30 (1964). |