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Publications in Theoretical Chemistry

First Principles Investigation of the Activity of Thin Film Pt, Pd and Au Surface Alloys for Oxygen Reduction

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Cross-Linker Effect on Solute Adsorption in Swollen Thermoresponsive Polymer Networks

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

DNA Mediated Assembly of Quantum Dot–protoporphyrin IX FRET Probes and the Effect of FRET Efficiency on ROS Generation

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Reaction Dynamics of CN Radicals With Tetrahydrofuran in Liquid Solutions

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Structural Isomers and Low-Lying Electronic States of Gas-Phase M+(N2O)n (M = Co, Rh, Ir) Ion–molecule Complexes

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

From Dewetting to Wetting Molecular Layers: C60 on CaCO3(101̄4) as a Case Study

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Voltage-Dependent Structural Changes of the Membrane-Bound Anion Channel hVDAC1 Probed by SEIRA and Electrochemical Impedance Spectroscopy

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Magnetomigration of Rare-Earth Ions in Inhomogeneous Magnetic Fields

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Water-Mediated Interactions Between Trimethylamine-N-Oxide and Urea

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Stacking of the Mutagenic Base Analogue 5-Bromouracil: Energy Landscapes of Pyrimidine Dimers in Gas Phase and Water

Physical Chemistry Chemical Physics

Theoretical Chemistry

English