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Basis set exchange: a community database for computational sciences.

Published in Journal of chemical information and modeling • 2026
Authors:
Karen L Schuchardt
,
Brett T Didier
,
Todd Elsethagen

Abstract

Basis sets are some of the most important input data for computational models in the chemistry, materials, biology, and other science domains that utilize computational quantum mechanics methods. Providing a shared, Web-accessible environment where researchers can not only download basis sets in the...

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