Dominique A Wappett
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Publications (4)
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|Dec 21, 2023
Exploring CPS-Extrapolated DLPNO-CCSD(T1) Reference Values for Benchmarking DFT Methods on Enzymatically Catalyzed Reactions.Dominique A Wappett, Lars Goerigk
|Nov 09, 2023
Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set.Dominique A Wappett, Lars Goerigk
|Jul 18, 2019
Toward a Quantum-Chemical Benchmark Set for Enzymatically Catalyzed Reactions: Important Steps and Insights.Dominique A Wappett, Lars Goerigk
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