This dataset provides the computational data underlying the DFT and MD analyses of LDP conformation in aqueous solution. It includes DFT input/output files, optimized structural files, and AIM-related
The synthesis of the first gallepin derivative, the neutral gallium-based analogue of the tropylium ion, is described. The title compound, containing two gallepin moieties linked by a TMEDA unit, was
The electron densities of the three natural B12-vitamins, two of them being essential cofactors for animal life, were determined in a procedure combining high-order X-ray data collection at low to ver
