ERD

Water-Assisted Hole Trapping at the Highly Curved Surface of Nano-TiO 2 Photocatalyst

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Curved TiO 2 Nanoparticles in Water: Short (Chemical) and Long (Physical) Range Interfacial Effects

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Using Density Functional Theory to Model Realistic TiO2 Nanoparticles, Their Photoactivation and Interaction with Water

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Modelling realistic TiO 2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Band Gap in Magnetite above Verwey Temperature Induced by Symmetry Breaking

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Photoexcited carriers recombination and trapping in spherical vs faceted TiO 2 nanoparticles

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Ab Initio Investigation of Polyethylene Glycol Coating of TiO 2 Surfaces

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Bulk-terminated or reconstructed Fe 3 O 4 (001) surface: water makes a difference

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Proton Transfers at a Dopamine-Functionalized TiO 2 Interface

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

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

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Unraveling Dynamical and Light Effects on Functionalized Titanium Dioxide Nanoparticles for Bioconjugation

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Multiscale simulations of the hydration shells surrounding spherical Fe 3 O 4 nanoparticles and effect on magnetic prope...

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Optimizing PEGylation of TiO 2 Nanocrystals through a Combined Experimental and Computational Study

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Reactive molecular dynamics simulations of hydration shells surrounding spherical TiO 2 nanoparticles: implications for ...

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Rational design of nanosystems for simultaneous drug delivery and photodynamic therapy by quantum mechanical modeling

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

An efficient way to model complex magnetite: Assessment of SCC-DFTB against DFT

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Binding group of oligonucleotides on TiO2 surfaces: Phosphate anionsor nucleobases?

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Periodic Reporting for period 5 - BIOINOHYB (Smart Bioinorganic Hybrids for Nanomedicine)

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Dopamine-Decorated TiO 2 Nanoparticles in Water: A QM/MM vs an MM Description

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

TETT-functionalized TiO 2 nanoparticles for DOX loading: a quantum mechanical study at the atomic scale

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Accuracy of dielectric-dependent hybrid functionals in the prediction of optoelectronic properties of metal oxide semico...

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Insight into the interface between Fe 3 O 4 (001) surface and water overlayers through multiscale molecular dynamics sim...

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Impact of surface curvature, grafting density and solvent type on the PEGylation of titanium dioxide nanoparticles

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Water Multilayers on TiO 2 (101) Anatase Surface: Assessment of a DFTB-Based Method

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Molecular dynamics simulations of cRGD-conjugated PEGylated TiO2 nanoparticles for targeted photodynamic therapy

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Water on Graphene-Coated TiO 2 : Role of Atomic Vacancies

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Effect of dopamine-functionalization, charge and pH on protein corona formation around TiO<sub>2</sub> nanoparticles

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Parametrization of the Fe–O water cross-interaction for a more accurate Fe 3 O 4 /water interface model and its applic...

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Absorption mechanism of dopamine/DOPAC-modified TiO2 nanoparticles by time-dependent density functional theory calculati...

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

Exploring the drug loading mechanism of photoactive inorganic nanocarriers through molecular dynamics simulations

Project: BIOINOHYB

Updated at: 27-04-2024

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Project acronym BIOINOHYB

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