Validation of X‐ray Wavefunction Refinement | Zendy

Woińska Magdalena | Zendy; Jayatilaka Dylan | Zendy; Dittrich Birger | Zendy; Flaig Ralf | Zendy; Luger Peter | Zendy; Woźniak Krzysztof | Zendy; Dominiak Paulina M. | Zendy; Grabowsky Simon | Zendy

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Validation of X‐ray Wavefunction Refinement

Author(s) -

Woińska Magdalena,

Jayatilaka Dylan,

Dittrich Birger,

Flaig Ralf,

Luger Peter,

Woźniak Krzysztof,

Dominiak Paulina M.,

Grabowsky Simon

Publication year - 2017

Publication title -

chemphyschem

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.016

H-Index - 140

eISSN - 1439-7641

pISSN - 1439-4235

DOI - 10.1002/cphc.201701262

Subject(s) - wave function , jigsaw , cover (algebra) , electron , electron density , physics , quality (philosophy) , x ray , theoretical physics , atomic physics , quantum mechanics , mathematics , engineering , mathematics education , mechanical engineering

The front cover artwork is provided by the group of Prof. Krzysztof Woźniak, Dr. Paulina M. Dominiak, and Dr. Magdalena Woińska. The image shows X‐ray wavefunction refinement as a method of electron density reconstruction (symbolized by a jigsaw puzzle), which allows to obtain accurate and precise molecular geometries as well as properties of electron density, and to perform data quality evaluations. Read the full text of the article at 10.1002/cphc.201700810.

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