It is currently available for IRIX, IRIX64, AIX, HP-UX and Linux.ĪMPAC is a fully-featured semiempirical quantum mechanical program. View Application Entry for ADF (Amsterdam Density Functional program)ĪllChem is an ab-initio LCGTO-DFT program based on the Kohn-Sham method. Post-processing data of the main calculations. Several smaller utility and property programs are available for pre- and Molecules, and BAND for periodic structures: polymers, slabs, and crystals.
Programs for ab initio or semi-empirical calculation of electronic structure.ĪDF (Amsterdam Density Functional program)ĪDF is the Amsterdam Density Functional program system for high-qualityĬomputational chemistry research. Structural Biology Software Database Application Index Sort by Ĭategory: Quantum Chemistry Calculation (19 entries)
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