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ORCA

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Link Title: ORCA Open in a new window
Link URL: http://ewww.mpi-muelheim.mpg.de/bac/logins/downloads_en.php
Link Details: Ab initio, DFT and semiempirical SCF-MO package, with specific emphasis on spectroscopic properties of open-shell molecules. Free binaries for academic users are available for a variety of platforms.
Category: Top : Science : Chemistry : Software : Physical_and_Theoretical
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ORCA