Extended Hückel Calculations on Solids Using the Avogadro Molecular Editor and Visualizer
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DOI: 10.1021/acs.jchemed.7b00698
Abstract: The “Yet Another extended Huckel Molecular Orbital Package” (YAeHMOP) has been merged with theAvogadro open-source molecular editor and visualizer. It is now possible to perform YAeHMOP calculations directly from the Avogadro graphical user interface for… read more here.
Keywords: editor visualizer; extended ckel; molecular editor; ckel calculations ... See more keywords