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- 2022
-
Mark
Combining crystallography with quantum mechanics
(
- Contribution to journal › Scientific review
- 2021
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Mark
Quantum-refinement studies of the bidentate ligand of V‑nitrogenase and the protonation state of CO-inhibited Mo‑nitrogenase
(
- Contribution to journal › Article
-
Mark
Critical evaluation of a crystal structure of nitrogenase with bound N2 ligands
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- Contribution to journal › Article
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Mark
Can the results of quantum refinement be improved with a continuum-solvation model?
(
- Contribution to journal › Article
- 2020
-
Mark
FragHAR : Towards ab initio quantum-crystallographic X-ray structure refinement for polypeptides and proteins
(
- Contribution to journal › Article