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- 2022
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Mark
Modeling of inorganic ions in aqueous solution
2022)(
- Thesis › Doctoral thesis (compilation)
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Aggregation of gluten proteins - from wheat seed biology to hydrogels : Scientific modelling based primarily on Monte-Carlo and HPLC methods
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
(
- 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
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Mark
Benchmark Study of Redox Potential Calculations for Iron-Sulfur Clusters in Proteins
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- Contribution to journal › Article
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Mark
Can Water Act as a Nucleophile in CO Oxidation Catalysed by Mo/Cu CO-Dehydrogenase? Answers from Theory
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- Contribution to journal › Article
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Mark
Structure of an Ultrathin Oxide on Pt3Sn(111) Solved by Machine Learning Enhanced Global Optimization**
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- Contribution to journal › Article
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Benchmarking ANO-R basis set for multiconfigurational calculations
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- Contribution to journal › Article
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The origin of enhanced O2+ production from photoionized CO2 clusters
2022) In Communications Chemistry(
- Contribution to journal › Article
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Mark
Thermodynamically Favourable States in the Reaction of Nitrogenase without Dissociation of any Sulfide Ligand
(
- Contribution to journal › Article