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Minimum Information Standards in Chemistry: A Call for Better Research Data Management Practices.

Autor: Herres-Pawlis S; Institut für Anorganische Chemie, RWTH Aachen University, Landoltweg 1A, 52074, Aachen, Germany., Bach F; E-Research, FIZ Karlsruhe-Leibniz Institute for Information Infrastructure, Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany., Bruno IJ; Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, UK., Chalk SJ; Department of Chemistry, University of North Florida, 1 UNF Drive, Jacksonville, FL 32224, USA., Jung N; Institute of Biological and Chemical Systems (IBCS), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany., Liermann JC; Johannes Gutenberg University Mainz, Department of Chemistry, Duesbergweg 10-14, 55128, Mainz, Germany., McEwen LR; Cornell University Library, 293 Clark Hall, Ithaca, NY 14853-2501, USA., Neumann S; Bioinformatics and Scientific Data, Leibniz Institute of Plant Biochemistry, Weinberg 3, 06120, Halle, Germany., Steinbeck C; Institute for Inorganic and Analytical Chemistry, Friedrich-Schiller-University Jena, Lessingstr. 1, 07743, Jena, Germany., Razum M; E-Research, FIZ Karlsruhe-Leibniz Institute for Information Infrastructure, Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany., Koepler O; Lab Linked Scientific Knowledge, TIB-Leibniz Information Centre for Science and Technology, Welfengarten 1B, 30173, Hannover, Germany.

Publikováno v: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2022 Dec 19; Vol. 61 (51), pp. e202203038. Date of Electronic Publication: 2022 Nov 08.

A crystallographic perspective on sharing data and knowledge.

Autor: Bruno IJ; The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, UK, bruno@ccdc.cam.ac.uk., Groom CR

Publikováno v: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2014 Oct; Vol. 28 (10), pp. 1015-22. Date of Electronic Publication: 2014 Aug 05.

Deducing chemical structure from crystallographically determined atomic coordinates.

Autor: Bruno IJ; Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, England., Shields GP, Taylor R

Publikováno v: Acta crystallographica. Section B, Structural science [Acta Crystallogr B] 2011 Aug; Vol. 67 (Pt 4), pp. 333-49. Date of Electronic Publication: 2011 Jul 18.