Self-consistent continuum solvation for optical absorption of complex molecular systems in solution
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The environment is important for the exact course of a chemical reaction. As an example of the strong influence of the environment on the reaction, this work studies the isomerization reaction of the chromophore retinal in the binding pocket of the protein ...
To study the electronic interactions in donor-acceptor (D-A) ensembles, D and A fragments are coupled in a single molecule. Specifically, a tetrathiafulvalene (TTF)-fused dipyrido[3,2-a:2′,3′-c]phenazine (dppz) compound having inherent redox centers has be ...
A comparative study of absorption spectroscopy at 100 K has been performed on three-dimensional crystals of bacteriorhodopsin extd. from a lipidic cubic phase and on native purple membrane. A modified microspectrophotometer has been designed which yields a ...
The ability to couple high-resolution specimen imaging with chemical state analysis allows problems in biology and medicine to be approached in a novel and powerful way. Element specific chemical state analysis can be performed at tunable synchrotron X-ray ...
The excited-state dynamics of covalently linked electron donor−acceptor systems consisting of N,N-dimethylaniline (DMA) as electron donor and either perylene (Pe) or cyanoperylene (CNPe) as acceptor has been investigated in a large variety of solvents, inc ...
We calc. the effects of relatively strong elec. fields, corresponding to typical values for the fields inside glasses and proteins, on the spectroscopic properties of a simple two-level mol. Disorder in the elec. field strength is employed as a phys. sourc ...
In situ Fourier transform infrared absorption spectroscopy has been used to study the composition of particles formed and suspended in radio-frequency discharges of silane-oxygen-argon gas mixtures. The silane gas constumption was observed by infrared abso ...
The sensitization of a semiconductor-based oxidoreduction photocatalyst is carried out by fixing at its surface a colour carrier comprised of a fragment of a transition metal complex such as ruthenium, chromium or iron and of a ligand of the bipyridyl or p ...