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- 2005
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Mark
How the Co-C bond is cleaved in coenzyme B-12 enzymes: A theoretical study
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- Contribution to journal › Article
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Mark
Comparison of chemical properties of iron, cobalt, and nickel porphyrins, corrins, and hydrocorphins
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- Contribution to journal › Article
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Mark
O2-binding to heme: electronic structure and spectrum of oxyheme, studied by multiconfigurational methods
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- Contribution to journal › Article
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Mark
A comparative reactivity study of microperoxidases based on hemin, mesohemin and deuterohemin
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- Contribution to journal › Article
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Mark
Reaction mechanism of porphyrin metallation studied by theoretical methods
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- Contribution to journal › Article
- 2004
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Mark
The structure of sitting-atop complexes of metalloporphyrins studied by theoretical methods
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- Contribution to journal › Article
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Mark
The protonation status of compound II in myoglobin, studied by a combination of experimental data and quantum chemical calculations: Quantum refinement
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- Contribution to journal › Article
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Mark
How O-2 binds to heme - Reasons for rapid binding and spin inversion
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- Contribution to journal › Article
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Mark
Binding of benzylpenicillin to metallo-beta-lactamase: A QM/MM study
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- Contribution to journal › Article
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Mark
Protonation status of metal-bound ligands can be determined by quantum refinement
(
- Contribution to journal › Article