Computational Chemistry
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- 2023
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Mark
Phase transitions of ionic fluids in nanoporous electrodes
(
- Contribution to journal › Article
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Mark
Anion-Specific Adsorption of Carboxymethyl Cellulose on Cellulose
(
- Contribution to journal › Article
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Mark
Protonation of Homocitrate and the E1 State of Fe-Nitrogenase Studied by QM/MM Calculations
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- Contribution to journal › Article
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Mark
Particle Adsorption Using a Quartz Crystal Microbalance with Dissipation by Applying a Kelvin-Voigt-Based Viscoelastic Model and the Gauss-Newton Method
(
- Contribution to journal › Article
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Mark
A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase
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- Contribution to journal › Article
- 2022
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Mark
Combining crystallography with quantum mechanics
(
- 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
Computational protein crystallography : How to get the most out of your data
2022)(
- Thesis › Doctoral thesis (compilation)
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Mark
Interfacial behaviours of ionic fluids : Theory and simulations
2022)(
- Thesis › Doctoral thesis (compilation)