HMO v1.0 is an interactive Huckel molecular orbital program created especially for Chem 3001. It is easy to learn, requires minimal input (in particular, the Fock or adjacency matrices are not needed as input) and catches most input errors. HMO calculates MO energies and coefficients, pi-electron populations, bond orders and lengths, free valences, and self polarizabilities for planar, conjugated hydrocarbons. HMO works on all PCs running MSDOS/Win 3.1x/Win 95/Win 98/Win ME/Win NT4/Win 2K. It is free for non-commercial use. HMO appeared on the November 1997 CDROM of the Software of the month club, Carlsbad, California.
Downloads