题 目: Panta rei - electronic and nuclear fluxes during chemical reactions
(The "panta rei" is famous from Greek philosopher Heraklitus, meaning "everything is flowing")
报告人: Jörn Manz
Freie Universität, Berlin
时 间: 2014年11月21日(星期五) 09:30
地 点: 卢嘉锡楼202报告厅
欢迎参加!
biwn必赢
2014年11月13日
附 - 报告摘要：
When molecules rearrange from initial configurations (reactants, R) to final ones (products, P), their nuclei and electrons flow from R to P. The related fundamental observables are the corresponding flux densities, or (when integrated over a surface) the fluxes. The quantum definitions have already been given by E. Schrdinger in his famous 1926 paper which presented the Schrdinger equation, but received little attention during aperiod of sleeping beauty, for more than 80 years. Now intramolecular fluxes have been opened as a new field of research. I shall present the developments of fundamental methods and many new discoveries of exciting phenomena, e.g. the first results deduced from experiments, quantifications and revisions of simple rules which have been developed in organic chemistry, and first results for fluxes in a small molecule from inorganic chemistry.
