Accurate crystal structures and chemical properties from NoSpherA2
Florian Kleemiss(University of Bern), Oleg V. Dolomanov(Durham University), Michael Bodensteiner(University of Regensburg), Norbert Peyerimhoff(Durham University), Laura Midgley(Durham University), Luc J. Bourhis(Bruker (France)), Alessandro Genoni(Centre National de la Recherche Scientifique), Lorraine A. Malaspina(University of Bern), Dylan Jayatilaka(The University of Western Australia), John L. Spencer(Victoria University of Wellington), Fraser White, Bernhard Grundkötter-Stock(Freie Universität Berlin), Simon Steinhauer(Freie Universität Berlin), Dieter Lentz(Freie Universität Berlin), Horst Puschmann(Durham University), Simon Grabowsky(University of Bern)
Cited by 350Open Access
Abstract
(Non-Spherical Atoms in Olex2). We explain the theoretical background of this technique and demonstrate the far-reaching effects that the improved structure quality that is now routinely available can have on the interpretation of chemical problems exemplified by five selected examples.
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