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- 2021
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Mark
QM/MM study of the binding of H2 to MoCu CO dehydrogenase : development and applications of improved H2 van der Waals parameters
(
- Contribution to journal › Article
- 2014
-
Mark
Effect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach.
(
- Contribution to journal › Article
- 2013
-
Mark
Direct ab initio study on the rate constants of radical C-2(A(3)Pi(u))+C3H8 reaction
(
- Contribution to journal › Article