Computational Chemistry
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- 2020
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Mark
Glutenin and gliadin, a piece in the puzzle of their structural properties in the cell described through monte carlo simulations
(
- Contribution to journal › Article
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Mark
Non-monotonic phase behaviour of a mixture containing non-adsorbing particles and polymerising rod-like molecules
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- Contribution to journal › Article
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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
The ANO-R Basis Set
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- Contribution to journal › Article
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Mark
Unifying viscous and inertial regimes of discontinuous shear thickening suspensions
(
- Contribution to journal › Article
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Mark
Phosphorylation of a Disordered Peptide - Structural Effects and Force Field Inconsistencies
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- Contribution to journal › Article
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Mark
Integrating All-Atom and Coarse-Grained Simulations - Toward Understanding of IDPs at Surfaces
(
- Contribution to journal › Article
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Mark
FragHAR : Towards ab initio quantum-crystallographic X-ray structure refinement for polypeptides and proteins
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- Contribution to journal › Article
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Mark
Site-Selective Orbital Interactions in an Ultrathin Iron-Carbene Photosensitizer Film
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- Contribution to journal › Article
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Mark
Coarse-Grained Modelling of Protein Adsorption
2020)(
- Thesis › Doctoral thesis (compilation)