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When DFT or CC fails, then multireference methods are often the methods of choice in chemistry. In these methods one uses the “diagonalize-then-perturb” strategy, whereby the Hamiltonian is first ...
Carboxylic acid dianions (fumarate, maleate, and succinate) play a role in coordination chemistry and, to some extent, also in the biochemistry of body cells. An HZB team at BESSY II has now ...