- AOMix
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AOMix is a software (supported OS: MS Windows 2000 and Windows XP) for the molecular orbital (MO) analysis. It calculates the MO compositions in terms of the constituent chemical fragments in the molecule or atom. AOMix automatically processes output files of multiple quantum-chemical packages. AOMix also allows to analyze chemical structure (bonding/antibonding nature of molecular orbitals) using overlap populations and charge decomposition analysis (CDA).
In addition, AOMix generates total, partial and overlap population density-of-states (DOS) plots.
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