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IUCr Commission CSMD

Commission on Charge, Spin and Momentum Densities
MINUTES OF CLOSED MEETING, Gordon Conference on Electron Distributions and Chemical Bonding, Queen's College, Oxford UK, 3 September, 1998

Present: K Schwarz (Chair), C Lecomte, M Spackman, Y Wang

  1. Names and addresses of members and consultants on the WWW: K Schwarz pointed out that this material should be kept as up-to-date as possible, and requested all members to check their entries and direct changes to him.
  2. Retirement of Commission members: A Bansil, F Itoh and K Schwarz will complete their third terms on the Commission at the IUCr Congress in Glasgow next year. Nominations for replacements must be in place for approval by the Glasgow Congress. K Schwarz will address this matter in an email call for nominations in the near future. It was also pointed out that nominations for membership can also be received from the various National Committees for Crystallography.
  3. Commission Projects: The Commission still has five "active" projects, but it appears that little progress has been made (and none reported) on three of them. It was felt that at some stage each project must be regarded as terminated, even if not finished, but none of those attending could suggest any mechanism whereby a project might be terminated. It was felt that in the future each project undertaken by the Commission should require regular updates and a realistic timeline. A presentation on the XD package was made at the Gordon Conference, and a summary of this, as well as some additional material, will be provided by P Mallinson for inclusion on the web page. C Lecomte will also provide a brief report on the multipole refinement project.
  4. "What's New" on the WWW: K Schwarz suggested that the Commission should include on its web page a section on recent papers and other items of interest to its community. Those present were invited to submit material and relevant links.
  5. Sagamore XIII in 2000: Planning for the meeting is well underway, and L Dobryzinski has invited input from the Commission to the deliberations of the Program Committee. The timing of Sagamore XIII (September 3-7, 2000) was discussed in the context of the next European Crystallography Meeting (Nancy, August 25-31, 2000), but it was felt that the dates set should not pose any significant problems.
  6. Scientific Program for IUCr Congress, Glasgow 1999: M Spackman, a member of the Program Committee for IUCr 1999, outlined sessions relevant to the CSMD community. There will be a Plenary Lecture on charge density analysis by Y Wang, as well as the following Microsymposia (with Chair/Co-Chair indicated): "Chemical Insights from Charge Density Analysis" (M Spackman/T Koritsanszky); "Synchrotrons and Charge Density Analysis" (FK Larsen/HP Weber); "Magnetic and Inelastic Scattering" (M Cooper/G Lander); "Quantitative Electron Diffraction and Microscopy" (D van Dyck/J Gjonnes). Additional microsymposia topics of interest include: "Intermolecular Interactions", "Ab initio Crystal Structure Prediction", "Crystal Engineering", "Dynamic Aspects of Molecular Crystals", "Physical Properties and Structural Relationships", "Molecular Magnets", "Data Accuracy and Detectors" and "X-ray and Neutron Complementarity", as well as a Plenary Lecture on "Quantum Chemical Calculations of Crystal Structures".

Mark Spackman, Secretary


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