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행사/교육

Electron Distribution & Chemical Bonding

  • 등록일2010-01-22
  • 조회수2558
  • 구분 국외
  • 행사교육분류 행사
  • 주관기관
    ..
  • 행사장소
    Mount Holyoke College
  • 행사기간
    2010-07-11 ~ 2010-07-16
  • 원문링크
    http://www.grc.org/programs.aspx?year=2010&program=elecdist
  • 첨부파일

Electron Distribution & Chemical Bonding

 

 

Application Deadline
Applications for this meeting must be submitted by June 20, 2010. Please apply early, as some meetings become oversubscribed (full) before this deadline. If the meeting is oversubscribed, it will be stated here. Applications will still be accepted for oversubscribed meetings. However, they will only be considered by the Conference Chair if more seats become available due to cancellations.

This conference has traditionally furnished lively debate concerning the relationship between the electron density, and concepts of chemical bonding. The hallmark of the conference is the close interaction between theoreticians and experimentalists involved in reconstructing the electron density, and other derived electronic properties, from diffraction measurements.

A key theme of the 2010 conference will concern the debate on chemical bonding between the atoms-in-molecules school, the Hirshfeld-based methods, and the more traditional orbital-based school. Is there room for ecumenism?

A second theme concerns the response of the electron density to perturbations. What happens to the electron density and chemical bonding when subjected to pressure? Or when subjected to electric fields, either from lasers, chemical encapsulation in cage compounds, or when electrons are trapped by large nuclear charges, so that they exhibit relativistic behaviour? What about weak perturbations, such as those that determine crystal structure itself: is there any role for the electron density in crystal structure prediction?

A third theme concerns alternative sources of information for the electron density. A particular focus will be unpaired valence electrons, which in open shell systems are probed using the polarised neutron diffraction experiment or perhaps from magnetic X-ray scattering. Are there prospects for joint refinement of experimental data, or reconstruction of one set of experimental data from another?

Finally, what are the prospects for modelling or using electron density and chemical bonding knowledge in biological systems?

Submission of poster presentations are welcome. If you wish such contributions to be considered for a short oral presentation within the main program, please indicate this at the time of registration to the chair and co-chair. The limited attendance at Gordon conferences and ample free time ensures that poster contributions have copious exposure.

The conference will be held in refurbished accommodations in the peaceful surroundings of Mount Holyoke College, South Hadley, Massachusetts.

Preliminary Program

A list of preliminary session topics and speakers is displayed below (discussion leaders are noted in italics). The detailed program is currently being developed by the Conference Chair and will be available by March 11, 2010. Please check back for updates.

  • The Electron Density in Theory and Practice
    (Paul Ayers / Dietmar Stalke)
  • Modeling Interaction Energies
    (Richard Wheatley / Angel Martin Pendas)
  • The Role of the Density in Crystal Structure Prediction
    (Mark Spackman)
  • Electron Distributions in Biology
    (Birger Dittrich / Axel Brunger / Paul Popelier / Sander van Smaalen)
  • Unpaired Electrons and Joint Refinements
    (Beatrice Gillon / Masahiso Ito)
  • Chemical Bonds under Extreme Conditions
    (Artem Oganov / John Tse / Philip Nakashima)
  • Relativistic Effects in the Electron Density
    (Markus Reiher)
  • Measuring More
    (Philip Coppens / Eiji Nishibori / Ullrich Pietsch)
  • Topology or Orbitals: Is Ecumenism Possible?
    (Gernot Frenking / Wolfgang Scherer)