Abstract:The following article will be submitted to the Journal of Chemical
Physics. It is thus not a peer-reviewed manuscript. After it is
hopefully accepted for publication, it will be found (in revised form)
at https://aip.scitation.org/journal/jcp<div><br></div><div>Transition metal-catalyzed reactions invariably include steps, where ligands associate or
dissociate. In order to obtain reliable energies for such reactions, sufficiently large basis sets need
to be employed. In this paper, w… Show more
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