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TD-DFT for PZX-tolan and Geometry optimization for Radicals
This dataset contains (TD-)DFT calculations for a series of N-Tolanyl-phenochalcogenazines PZX in neutral and radical form with two different geometries. For the radicals, only... -
TD-DFT calculations of bridged triarylamine dimers
This dataset contains (TD-)DFT calculations (Gaussian 09 output files) for a series of 2,7-fluorene bridged triarylamine dimers in their neutral-, monoradicalic- and diradicalic... -
Donor Acceptor Triads with Triptycene Bridges, ns and fs laser raw data
This dataset contains the raw datasets measured on a Helios pump-probe spectrometer (Ultrafast Systems) and an inhouse built transient absorption spectrometer based on a LP920... -
Composing a Molecular Symphony A catalytically active small organic molecule...
This dataset contains the supplementary data belonging to the PhD thesis of Matthijs ter Harmsel titled ‘Composing a Molecular Symphony’. It consists of data related to two...
