1 – 10 of 34
- show: 10
- |
- sort: year (new to old)
Close
Embed this list
<iframe src=" "
width=" "
height=" "
allowtransparency="true"
frameborder="0">
</iframe>
- 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
- 2011
-
Mark
Conformational Dependence of Isotropic Polarizabilities
(
- Contribution to journal › Article
-
Mark
Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein
(
- Contribution to journal › Article
-
Mark
Accurate Predictions of Nonpolar Solvation Free Energies Require Explicit Consideration of Binding-Site Hydration
(
- Contribution to journal › Article
- 2010
-
Mark
Ligand affinities estimated by quantum chemical calculations
(
- Contribution to journal › Article
-
Mark
Estimates of ligand-binding affinities supported by quantum mechanical methods.
(
- Contribution to journal › Article