Published in Physical Chemistry Chemical Physics
Beyond point charges! The point charge concept within dipolar repulsion model is valid for compact atoms like fluorine. This model breaks down for larger halogens, for which the electrostatic attraction between nuclei and charge densities dominates.
Published in Physical Chemistry Chemical Physics
Composition effects and molecular crowding are incorporated into NMR Bloch–McConnell chemical exchange theory to study exchange dynamics in nanoemulsions.
Published in Physical Chemistry Chemical Physics
We characterize the photophysical interactions between lipid-linked chromophores and plant light-harvesting proteins incorporated into nanodiscs using optical spectroscopy, simulations and theoretical modelling.
Published in Physical Chemistry Chemical Physics
A combined theoretical and experimental study showing styrene primarily decomposes to styryl radicals + H.
Published in Physical Chemistry Chemical Physics
The speciation of the CuII sites in Cu-CHA catalysts for NH3-SCR is studied, to investigate the influence of the Al content on the structure and reactivity of these sites in a NO/O2 mixture.
Published in Physical Chemistry Chemical Physics
The assembly reaction and primary photochemistry of a cyanobacteriochrome photoreceptor with two different chromophores were investigated with transient absorption spectroscopy.
Published in Physical Chemistry Chemical Physics
The influence of vibrational effects on the absorption spectra of a Ru water oxidation catalyst are shown: comparison of a nuclear ensemble approach (red, Wigner sampling) with spectrum based on a single equilibrium geometry (blue).
Published in Physical Chemistry Chemical Physics
Protein–protein interactions are involved in the regulation and function of the majority of cellular processes.
Published in Physical Chemistry Chemical Physics
Simulated nitrogen nuclear spin magnetization generated by RF and MW irradiation of liquid solved nitroxides.
Published in Physical Chemistry Chemical Physics
Electron-induced reactions make an important contribution to the solubility switch of a novel Zn oxocluster resist in extreme ultraviolet lithography (EUVL). The study also gives direct evidence that chain reactions are involved in this process.
