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- 2020
-
Mark
Modern quantum chemistry with [Open]Molcas
(
- Contribution to journal › Article
- 2019
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Mark
OpenMolcas : From Source Code to Insight
(
- Contribution to journal › Scientific review
- 2018
-
Mark
Reaction Mechanism of [NiFe] Hydrogenase Studied by Computational Methods
(
- Contribution to journal › Article
- 2017
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Mark
H2 binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methods
(
- Contribution to journal › Article
- 2014
-
Mark
Accurate calculations of geometries and singlet-triplet energy differences for active-site models of [NiFe] hydrogenase
(
- Contribution to journal › Article