Exact numerical simulations of NMR experiments are commonly required for the engineering of new techniques and for the extraction of structural and dynamic parameters from the spectra. The calculations can be very demanding, ...

The biological function of a protein is in large measure determined by its three-dimensional structure. To date, however, the transition of the protein between the native and non-native conformations is not well-understood. ...

The electrochemical splitting of water into hydrogen and oxygen has been proposed as an alternative means to store electrical energy. The limiting aspect of this reaction is the oxygen forming reaction, which can be catalyzed ...

Time-resolved impulsive stimulated light scattering (ISS), also known as transient grating spectroscopy, was used to investigate phonon mediated thermal transport in semiconductors and mechanical degrees of freedom linked ...

Electrostatic interactions play an important role in determining the energetics of association in biomolecular complexes. Previous work has shown that, within a continuum electrostatic model, for any given complex there ...

Chapter 1. The synthesis of a group of alkoxy-substituted para-acenequinones and their photophysical properties in solution and liquid crystal are reported. Polarized absorption and fluorescence measurements demonstrate ...

W(NAr)(CH-t-Bu)(CH2-t-Bu)2 (Ar = 2,6-i-Pr2C6H3) was synthesized in four steps starting from WCI6. The reaction of W(NAr)(CH-t-Bu)(CH2-t-Bu)2 with various alcohols (1-AdamantylOH, t-BuOH, ArOH, (CF3)2CHOH, (CF3)2MeCOH, ...

The electrocatalytic conversion of water to O₂ is the key efficiency-determining reaction for the storage of electrical energy in the form of liquid fuels. In this thesis, the simple preparation of a cobalt-based catalyst ...