| Toward a quantum-chemical benchmark set for enzymatically catalyzed reactions: important steps and insights DA Wappett, L Goerigk The Journal of Physical Chemistry A 123 (32), 7057-7074, 2019 | 26 | 2019 |
| Benchmarking density functional theory methods for metalloenzyme reactions: The introduction of the mme55 set DA Wappett, L Goerigk Journal of Chemical Theory and Computation 19 (22), 8365-8383, 2023 | 19 | 2023 |
| Exploring CPS-Extrapolated DLPNO–CCSD(T1) Reference Values for Benchmarking DFT Methods on Enzymatically Catalyzed Reactions DA Wappett, L Goerigk The Journal of Physical Chemistry A 128 (1), 62-72, 2023 | 8 | 2023 |
| A guide to benchmarking enzymatically catalysed reactions: the importance of accurate reference energies and the chemical environment DA Wappett, L Goerigk Theoretical Chemistry Accounts 140 (6), 68, 2021 | 8 | 2021 |
| Erratum to “toward a quantum-chemical benchmark set for enzymatically catalyzed reactions: Important steps and insights” DA Wappett, L Goerigk The Journal of Physical Chemistry A 124 (5), 1062-1062, 2020 | 6 | 2020 |
| Accessible and predictable QM-cluster model building for enzymes with the Residue Interaction Network Residue Selector DA Wappett, NJ DeYonker Annual Reports in Computational Chemistry 20, 131-155, 2024 | 1 | 2024 |
Lars GoerigkAssociate Professor, MCTCC, School of Chemistry, The University of MelbourneVerified email at unimelb.edu.au
