The extended Huckel method is a way of determining the structural geometry of an organic molecule. It involves calculations of the electronic interactions, and can determine the relative energy in a given geometrical configuration.
This in certain theoretical studies has been used as a prelimiinary (and usually fairly accurate) step to determining the structure and electronic properties using the CNDO/2 method. The latter method has been described as more accurate in its detemination.
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Last updated: 05-29-2005 03:11:18
Last updated: 10-29-2005 02:13:46