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Showing 1 to 1 of 1 for “"DFTB3"”.
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Thermal cis-trans isomerization of azobenzene studied by path sampling and QM/MM stochastic dynamics
Azobenzene-based molecular photoswitches have extensively been applied to biological systems, involving photo-control of peptides, lipids and nucleic acids. The isomerization between the stable trans and the metastable cis state of the azo moieties leads to pronounced changes in shape and other …