[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Reply to: [list | sender only]
No Subject
- To: Multiple recipients of list <comcifs-l@iucr.org>
- From: Brian McMahon <bm@iucr.org>
- Date: Thu, 4 Sep 2003 16:10:29 +0100 (BST)
Dear colleagues The electron density CIF dictionary (rhoCIF) version 1.0 has been posted. The rhoCIF project has been directed since 2000 by Paul Mallinson of the University of Glasgow under the aegis of the Commission on Charge, Spin and Momentum Densities, following earlier work by Mark Spackman. The current version of the dictionary presents data names used in the atom-centred multipole expansion model of Stewart [(1973), J. Chem. Phys. 58, 1668] and Hansen & Coppens [(1978), Acta Cryst. A34, 909-921]. The dictionary is suitable for recording the results of experimental measurements and for representing a theoretical electron density fitted with an appropriate model. == Further information is on the rhoCIF home page: http://www.iucr.org/iucr-top/cif/rho/index.html The canonical version of the dictionary is available from ftp://ftp.iucr.org/pub/cif_rho_1.0.dic This dictionary was approved by COMCIFS on 19 August 2003. I congratulate Paul and co-workers on the production of this useful addition to the stable of IUCr CIF dictionaries. Brian McMahon Coordinating Secretary, COMCIFS _______________________________________________________________________________ Brian McMahon tel: +44 1244 342878 Research and Development Officer fax: +44 1244 314888 International Union of Crystallography e-mail: bm@iucr.ac.uk 5 Abbey Square, Chester CH1 2HU, England bm@iucr.org
Reply to: [list | sender only]
- Prev by Date: COMCIFS procedures for approving dictionaries
- Next by Date: New version of imgCIF/CBF dictionary
- Prev by thread: No Subject
- Next by thread: No Subject
- Index(es):