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- 2020
-
Mark
Dalton Project : A Python platform for molecular- and electronic-structure simulations of complex systems
(
- Contribution to journal › Article
- 2019
-
Mark
Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenase
(
- Contribution to journal › Article
-
Mark
Triplet excitation energies from multiconfigurational short-range density-functional theory response calculations
(
- Contribution to journal › Article
- 2018
-
Mark
Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory
(
- Contribution to journal › Article
-
Mark
Molecular mechanism of lytic polysaccharide monooxygenases
(
- Contribution to journal › Article
-
Mark
Multiconfigurational short-range density-functional theory for open-shell systems
(
- Contribution to journal › Article
- 2017
-
Mark
Modeling the absorption spectrum of the permanganate ion in vacuum and in aqueous solution
(
- Contribution to journal › Article
-
Mark
Targeting the reactive intermediate in polysaccharide monooxygenases
2017) In Journal of Biological Inorganic Chemistry(
- Contribution to journal › Article
-
Mark
Multiscale Modelling of Lytic Polysaccharide Monooxygenases
(
- Contribution to journal › Article
-
Mark
Relativistic Polarizable Embedding
(
- Contribution to journal › Article
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