Computational Chemistry
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- 2021
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Confinement-induced fluid-fluid phase transitions in simple fluid mixtures, under bulk supra-critical conditions
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- Contribution to journal › Article
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Structural transitions at electrodes, immersed in simple ionic liquid models
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- Contribution to journal › Article
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Directional shear jamming of frictionless ellipses
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- Contribution to journal › Article
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Self-Diffusive Properties of the Intrinsically Disordered Protein Histatin 5 and the Impact of Crowding Thereon : A Combined Neutron Spectroscopy and Molecular Dynamics Simulation Study
2021) In Journal of Physical Chemistry B(
- Contribution to journal › Article
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Dye-sensitized solar cells based on Fe N-heterocyclic carbene photosensitizers with improved rod-like push-pull functionality
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- Contribution to journal › Article
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Direct Evidence for Reaction between Cellulose and CO2from Nuclear Magnetic Resonance
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- Contribution to journal › Article
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Charge Regulation during Amyloid Formation of α-Synuclein
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Resonant X-ray photo-oxidation of light-harvesting iron (II/III) N-heterocyclic carbene complexes
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- Contribution to journal › Article
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Charge Interactions in a Highly Charge-Depleted Protein
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Quantum-refinement studies of the bidentate ligand of V‑nitrogenase and the protonation state of CO-inhibited Mo‑nitrogenase
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- Contribution to journal › Article