Validation of X-ray Wavefunction Refinement

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

doi:10.1002/cphc.201701262

Validation of X-ray Wavefunction Refinement

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

School of Molecular Sciences

Research output: Contribution to journal › Comment/debate › peer-review

2 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	3290-3291
Number of pages	2
Journal	ChemPhysChem
Volume	18
Issue number	23
DOIs	https://doi.org/10.1002/cphc.201701262
Publication status	Published - 6 Dec 2017

Access to Document

10.1002/cphc.201701262

Cite this

@article{e300072f21ee4a7280617b0cf2515cc6,

title = "Validation of X-ray Wavefunction Refinement",

abstract = "The front cover artwork is provided by the group of Prof. Krzysztof Wo{\'z}niak, Dr. Paulina M. Dominiak, and Dr. Magdalena Woi{\'n}ska. 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.",

author = "Magdalena Woi{\'n}ska and Dylan Jayatilaka and Birger Dittrich and Ralf Flaig and Peter Luger and Krzysztof Wo{\'z}niak and Dominiak, {Paulina M.} and Simon Grabowsky",

year = "2017",

month = dec,

day = "6",

doi = "10.1002/cphc.201701262",

language = "English",

volume = "18",

pages = "3290--3291",

journal = "ChemPhysChem",

issn = "1439-4235",

publisher = "Wiley-VCH Verlag GmbH & Co. KGaA",

number = "23",

}

TY - JOUR

T1 - Validation of X-ray Wavefunction Refinement

AU - Woińska, Magdalena

AU - Jayatilaka, Dylan

AU - Dittrich, Birger

AU - Flaig, Ralf

AU - Luger, Peter

AU - Woźniak, Krzysztof

AU - Dominiak, Paulina M.

AU - Grabowsky, Simon

PY - 2017/12/6

Y1 - 2017/12/6

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85037714910&partnerID=8YFLogxK

U2 - 10.1002/cphc.201701262

DO - 10.1002/cphc.201701262

M3 - Comment/debate

AN - SCOPUS:85037714910

SN - 1439-4235

VL - 18

SP - 3290

EP - 3291

JO - ChemPhysChem

JF - ChemPhysChem

IS - 23

ER -

Validation of X-ray Wavefunction Refinement

Abstract

Access to Document

Other files and links

Fingerprint

Cite this