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Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.1c01502
Abstract: Computational chemistry is an increasingly active field due to the improvement of computing resources and theoretical tools. However, its use remains usually limited to technically inclined users due to the technical challenges of preparing, launching,…
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Keywords:
quantum chemistry;
open source;
chemistry;
calcus open ... See more keywords