Theoretical Chemistry
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- 2022
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Mark
Combining crystallography with quantum mechanics
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- Contribution to journal › Scientific review
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Mark
Conformation- and phosphorylation-dependent electron tunnelling across self-assembled monolayers of tau peptides
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- Contribution to journal › Article
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Mark
Bone mineral : A trojan horse for bone cancers. Efficient mitochondria targeted delivery and tumor eradication with nano hydroxyapatite containing doxorubicin
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- Contribution to journal › Article
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Mark
Benchmarking ANO-R basis set for multiconfigurational calculations
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- Contribution to journal › Article
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Mark
Modeling of inorganic ions in aqueous solution
2022)(
- Thesis › Doctoral thesis (compilation)
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Mark
Counterintuitive Electrostatics upon Metal Ion Coordination to a Receptor with Two Homotopic Binding Sites
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- Contribution to journal › Article
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Mark
Interfacial behaviours of ionic fluids : Theory and simulations
2022)(
- Thesis › Doctoral thesis (compilation)
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Mark
Computational protein crystallography : How to get the most out of your data
2022)(
- Thesis › Doctoral thesis (compilation)
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Mark
A modified Jarzynski free-energy estimator to eliminate non-conservative forces and its application in nanoparticle-membrane interactions
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- Contribution to journal › Article
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Mark
Anion-cation contrast of small molecule solvation in salt solutions
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- Contribution to journal › Article