Computational Chemistry
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- 2022
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Mark
Clustering and cross-linking of the wheat storage protein α-gliadin : A combined experimental and theoretical approach
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- Contribution to journal › Article
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Convergence of Electronic Structure Properties in Ionic Oxides Within a Fragment Approach
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- Contribution to journal › Article
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A program system for self-consistent embedded potentials for ionic crystals
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- Contribution to journal › Article
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Computationally enhanced X-ray diffraction analysis of a gold(III) complex interacting with the human telomeric DNA G-quadruplex. Unravelling non-unique ligand positioning
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- Contribution to journal › Article
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Mark
Polarizable Embedding Complex Polarization Propagator in Four- and Two-Component Frameworks
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- Contribution to journal › Article
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Mark
Electronic polarization effects on membrane translocation of anti-cancer drugs
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- Contribution to journal › Article
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Boundary-Monte Carlo Method for Neutral and Charged Confined Fluids
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- Contribution to journal › Article
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Interfacial behaviours of ionic fluids : Theory and simulations
2022)(
- Thesis › Doctoral thesis (compilation)
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Mark
Electro-mechanically switchable hydrocarbons based on [8]annulenes
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- Contribution to journal › Article
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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