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Publications by Cristiana Di Valentin

Microscopic Insight Into the Single Step Growth of In-Plane Heterostructures Between Graphene and Hexagonal Boron Nitride

Nano Research
Electronic EngineeringNanotechnologyNanoscienceElectricalMaterials Science
2019English

Computational Electrochemistry of Water Oxidation on Metal-Doped and Metal-Supported Defective H-Bn

ChemSusChem
Environmental ChemistryEnergyChemical EngineeringMaterials Science
2019English

Rational Design of Nanosystems for Simultaneous Drug Delivery and Photodynamic Therapy by Quantum Mechanical Modeling

Nanoscale
Materials ScienceNanotechnologyNanoscience
2019English

Probing Electrons in TiO2 Polaronic Trap States by IR-absorption: Evidence for the Existence of Hydrogenic States

Scientific Reports
Multidisciplinary
2014English

An Efficient Way to Model Complex Magnetite: Assessment of SCC-DFTB Against DFT

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2019English

Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles

Molecules
Organic ChemistryMolecular MedicineAnalytical ChemistryTheoretical ChemistryPharmaceutical ScienceMedicineDrug DiscoveryChemistryPhysical
2018English

Density-Functional Model Cluster Studies of EPR G Tensors of Fs+ Centers on the Surface of MgO

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2006English

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