Charge-Transfer Complexes: Halogen-Doped Anthracene as a Case of Study.

Charge transfer (CT) crystals exhibit unique electronic and magnetic properties with interesting applications. We present a rational and easy guide which allows to foresee the effective charge transfer co-crystal production and that is based on the comparison of the frontier molecular orbital (MO) energies of a donor and acceptor couple. For the sake of comparison, theoretical calculations have been carried out by using the cheap and fast PM6 semiempirical Hamiltonian and pure HF/cc-pVTZ level of the theory.

VISproPT: A high-precision instrument for 3D shape analysis of parabolic trough panels.

In Concentrating Solar Power plants, reflective panels are used to redirect solar radiation towards a receiver. Because the panel shape drives the radiation distribution around the focus where the receiver is placed, the 3D measurement is fundamental to assess the panel shape quality. The VISproPT instrument is the advanced version of the prototype VISprofile; these instruments are designed for indoor measuring of the 3D shape of parabolic-trough reflective panels.

KSEMAW: an open source software for the analysis of spectrophotometric, ellipsometric and photothermal deflection spectroscopy measurements.

The optical behavior of devices based on thin films is determined by complex refractive index and thickness of each slab composing the stack; these important parameters are usually evaluated from photometric and/or ellipsometric spectral measurements, given a model of the stack, by means of dedicated software. In the case of complex multilayer devices, generally a number of simpler specimens (like single-film on substrate) must be preliminarily characterized. This paper introduces the reader to a new open source software for thin film characterization finally released after about 30 years of development.

Growth Dynamics of Ultrathin Films of Benzo[1,2-:4,5-']dithiophene Derivatives on Au(111): A Photoelectron Spectroscopy Investigation.

Ultrathin films of a stereoisomeric mixture of benzo[1,2-:4,5-']dithiophene derivatives were grown by thermal evaporation in vacuum on Au(111), and they were studied in situ by photoelectron spectroscopy. X-ray photons from a non-monochromatic Mg Kα conventional X-ray source and UV photons from a He I discharge lamp equipped with a linear polarizer were used. He I photoemission results were compared with density functional theory (DFT) calculations: density of states (DOS) and 3D molecular orbital density distribution.

Practice co-evolution: Collaboratively embedding artificial intelligence in retail practices.

Unlabelled: Many retailers invest in artificial intelligence (AI) to improve operational efficiency or enhance customer experience. However, AI often disrupts employees' ways of working causing them to resist change, thus threatening the successful embedding and sustained usage of the technology. Using a longitudinal, multi-site ethnographic approach combining 74 stakeholder interviews and 14 on-site retail observations over a 5-year period, this article examines how employees' practices change when retailers invest in AI.