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High‐Accuracy Computation of Reaction Barriers in Enzymes |
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| Authors: | Frederik Claeyssens,Jeremy N. Harvey,Frederick R. Manby,Ricardo A. Mata,Adrian J. Mulholland,Kara E. Ranaghan,Martin Schü tz,Stephan Thiel,Walter Thiel,Hans‐Joachim Werner |
| Abstract: | |
| Keywords: | Ab‐initio‐Rechnungen Enzymkatalyse QM/MM‐Rechnungen Reaktionsmechanismen Ü bergangszustandstheorie |