Erik Donovan Hedegård
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- 2021
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Mark
Estimating the accuracy of calculated electron paramagnetic resonance hyperfine couplings for a lytic polysaccharide monooxygenase
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- Contribution to journal › Article
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Mark
Engineering the Oxidative Potency of Non-Heme Iron(IV) Oxo Complexes in Water for C-H Oxidation by a cis Donor and Variation of the Second Coordination Sphere
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- Contribution to journal › Article
- 2020
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Mark
Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes
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- Contribution to journal › Article
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Mark
Investigating the influence of relativistic effects on absorption spectra for platinum complexes with light-activated activity against cancer cells
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- Contribution to journal › Article
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Mark
The DIRAC code for relativistic molecular calculations
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- Contribution to journal › Article
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Mark
Dalton Project : A Python platform for molecular- and electronic-structure simulations of complex systems
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- Contribution to journal › Article
- 2019
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Mark
Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenase
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- Contribution to journal › Article
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Mark
Triplet excitation energies from multiconfigurational short-range density-functional theory response calculations
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- Contribution to journal › Article
- 2018
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Mark
Multiconfigurational short-range density-functional theory for open-shell systems
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- Contribution to journal › Article
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Mark
Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory
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- Contribution to journal › Article