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- 2020
-
Mark
Dalton Project : A Python platform for molecular- and electronic-structure simulations of complex systems
(
- Contribution to journal › Article
- 2017
-
Mark
Relativistic Polarizable Embedding
(
- Contribution to journal › Article
- 2015
-
Mark
Multiscale Modeling of the Active Site of [Fe] Hydrogenase: The H-2 Binding Site in Open and Closed Protein Conformations
(
- Contribution to journal › Article
- 2014
-
Mark
Theoretical Fe-57 Mossbauer spectroscopy: isomer shifts of [Fe]- hydrogenase intermediates
(
- Contribution to journal › Article
-
Mark
Computational assignment of redox states to Coulomb blockade diamonds
(
- Contribution to journal › Article