Tags: tool:compcatal

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  1. Computational Catalysis with Density Functional Theory

    08 Aug 2018 | Contributor(s):: Kevin Greenman, Peilin Liao

    Heterogeneous catalysis is used in a significant portion of production processes in the industrialized world, which makes maximizing the efficiency of catalysts a high priority. However, the immense number of candidates for new catalysts precludes the possibility of testing all of them by...