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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) , atomic physics , theoretical 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.