Hirshfeld atom refinement

Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR met...

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Bibliografiska uppgifter
Huvudupphovsmän: Capelli, Silvia C., Bürgi, Hans-Beat, Dittrich, Birger, Grabowsky, Simon, Jayatilaka, Dylan
Materialtyp: Artigo
Språk:Inglês
Publicerad: International Union of Crystallography 2014
Ämnen:
Research Papers
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC4174878/
https://ncbi.nlm.nih.gov/pubmed/25295177
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052252514014845
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