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Journal of Chemical Theory and Computation|November 9, 2023
Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 SetDominique A Wappett, Lars GoerigkThe Journal of Physical Chemistry. A|July 18, 2019
Toward a Quantum-Chemical Benchmark Set for Enzymatically Catalyzed Reactions: Important Steps and InsightsDominique A Wappett, Lars GoerigkThe Journal of Physical Chemistry. A|December 21, 2023
Exploring CPS-Extrapolated DLPNO-CCSD(T<sub>1</sub>) Reference Values for Benchmarking DFT Methods on Enzymatically Catalyzed ReactionsDominique A Wappett, Lars GoerigkPageof 1