A guide to benchmarking enzymatically catalysed reactions: the importance of accurate reference energies and the chemical environment
DA Wappett, L Goerigk - Theoretical Chemistry Accounts, 2021 - Springer
We explore two significant factors on the outcomes of benchmark studies for enzymatically
catalyzed reactions, namely the level of theory of the benchmarks and the size of the model …
catalyzed reactions, namely the level of theory of the benchmarks and the size of the model …
A Guide to Benchmarking Enzymatically Catalysed Reactions: The Importance of Accurate Reference Energies and the Chemical Environment
DA Wappett, L Goerigk - 2020 - chemrxiv.org
We explore two significant factors on the outcomes of benchmark studies for enzymatically
catalysed reactions, namely the level of theory of the benchmarks and the size of the model …
catalysed reactions, namely the level of theory of the benchmarks and the size of the model …
[PDF][PDF] A Guide to Benchmarking Enzymatically Catalysed Reactions: The Importance of Accurate Reference Energies and the Chemical Environment
DA Wappett, L Goerigk - scholar.archive.org
We explore two significant factors on the outcomes of benchmark studies for enzymatically
catalysed reactions, namely the level of theory of the benchmarks and the size of the model …
catalysed reactions, namely the level of theory of the benchmarks and the size of the model …
[PDF][PDF] A guide to benchmarking enzymatically catalysed reactions: the importance of accurate reference energies and the chemical environment
DA Wappett, L Goerigk - Theoretical …, 2021 - minerva-access.unimelb.edu.au
We explore two significant factors on the outcomes of benchmark studies for enzymatically
catalyzed reactions, namely the level of theory of the benchmarks and the size of the model …
catalyzed reactions, namely the level of theory of the benchmarks and the size of the model …
A guide to benchmarking enzymatically catalysed reactions: the importance of accurate reference energies and the chemical environment.
DA Wappett, L Goerigk - Theoretical Chemistry Accounts …, 2021 - search.ebscohost.com
We explore two significant factors on the outcomes of benchmark studies for enzymatically
catalyzed reactions, namely the level of theory of the benchmarks and the size of the model …
catalyzed reactions, namely the level of theory of the benchmarks and the size of the model …
A Guide to Benchmarking Enzymatically Catalysed Reactions: The Importance of Accurate Reference Energies and the Chemical Environment
DA Wappett, L Goerigk - 2020 - europepmc.org
We explore two significant factors on the outcomes of benchmark studies for enzymatically
catalysed reactions, namely the level of theory of the benchmarks and the size of the model …
catalysed reactions, namely the level of theory of the benchmarks and the size of the model …
[PDF][PDF] A guide to benchmarking enzymatically catalysed reactions: the importance of accurate reference energies and the chemical environment
DA Wappett, L Goerigk - scholar.archive.org
We explore two significant factors on the outcomes of benchmark studies for enzymatically
catalysed reactions, namely the level of theory of the benchmarks and the size of the model …
catalysed reactions, namely the level of theory of the benchmarks and the size of the model …