PhCh 531 Structural studies and studies of reaction mechanisms of free radicals in solution by Electron Spin Resonance (ESR) spectroscopy with advanced computer simulations. Phytochemical and chemotaxonomical studies of naturally occurring quinones and quinols (J.A. Pedersen).
PhCh 532 Theoretical studies of the origin and reduction of oxidative stress (S. Knak Jensen).
PhCh 535 Analysis of high-resolution infra-red spectra of selected molecules. Determination of molecular constants and geometry. Development of models for perturbations in rotation/vibration spectra and implementation of these models in computer programmes (F. Hegelund).
PhCh 530 Studies of chemical reactivity and dynamics with femtosecond light pulses. Far-infrared spectroscopy with ultra-short THz-pulses. Spectroscopy of polar and non-polar liquids. Generation and application of ultra short light pulses for the far-infrared to the UV frequency domain (S. Rud Keiding).
PhCh 536 Reaction dynamics studied by femtosecond laser pulses. Laser triggered Coulomb explosions. Laser induced alignment of molecules with applications towards control of photochemical reactions (H. Stapelfeldt).
PhCh 537 Photoinduced phenomena in organic molecules, polymeric materials, and biological samples are studied. A variety of laser-based, time- and spatially resolved spectroscopic tools are used to (1) characterize molecular transients, (2) monitor excited-state processes, and (3) elucidate reaction pathways. Processes that involve molecular oxygen are of particular interest (P.R. Ogilby).
PhCh 538 Studies of supra molecular aggregates by small-angle X-ray and neutron scattering, Monte Carlo simulation techniques and statistical mechanics. A large range of systems are studied: Block copolymers in a selective solvent, star-shaped polymers, dendrimers, polyelectrolyte polymers, polymer-like micelles, mixed surfactant systems and microemulsions (J. Skov Pedersen).
PhCh 539 Studies of biological molecules by molecular modelling techniques. A wide range of methods is applied, as e.g. quantum chemical descriptions of enzymatic active sites, molecular dynamics simulations of enzyme-substrate, enzyme-transition state and enzyme product complexes and techniques for rational drug design (Birgit Schiøtt).