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CrystEngComm

Design and understanding of solid-state and crystalline materials

Paper

Ab initio ORTEP drawings: a case study of N-based molecular crystals with different chemical nature

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Corresponding authors
a
Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52056 Aachen, Germany
E-mail: drons@HAL9000.ac.rwth-aachen.de
Fax: +49 241 8092642
b
Elements Strategy Initiative for Structural Materials (ESISM), Kyoto University, Yoshida-Honmachi, Sakyo-ku, Japan
c
Institute for Crystallography, RWTH Aachen University, Jägerstr. 17–19, 52056 Aachen, Germany
d
FZ Jülich GmbH, Jülich Centre for Neutron Science (JCNS) at FRM II, Lichtenbergstr. 1, 85727 Garching, Germany
e
Jülich-Aachen Research Alliance (JARA-HPC), RWTH Aachen University, 52056 Aachen, Germany
CrystEngComm, 2014,16, 10907-10915

DOI: 10.1039/C4CE01637H
Received 07 Aug 2014, Accepted 21 Oct 2014
First published online 21 Oct 2014
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