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Computational Chemistry Comparison and Bench Mark Databases

by Gutow, Jonathan H last modified Feb 18, 2014 01:21 PM

NIST web site which has information useful for comparing computational methods. Includes geometries and some other molecular properties.

The link address is: http://cccbdb.nist.gov/

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by Gutow, Jonathan H last modified Feb 18, 2014 01:21 PM