化学反应中的量子隧道效应



活动地点:腾讯会议

活动时间:2020-11-27 17:00:00

报告题目(Title):Quantum Tunnelling in Chemical Reactions (化学反应中的量子隧道效应)

报告人(Speaker):Prof. David Clary (牛津大学教授、美国艺术与科学院外籍荣誉院士、国际量子分子科学院院士、英国皇家学会会士)

报告时间(Time):2020年11月27日(周五)17:00

会议地点:腾讯会议

会议连接:https://meeting.tencent.com/s/RYkQ69KVaYbE

会议ID:144 938 246

主办部门:上海大学催化化学国际合作联合实验室

邀请人: 张登松 研究员

报告摘要:

This talk will describe the recent research on quantum tunnelling in chemical reactions. A simple but accurate method for predicting rate constants will be presented which brings together quantum dynamics and quantum chemistry in an efficient semi-classical approach. Applications to the unimolecular decay of Criegee intermediates and decomposition mechanisms of chemical nerve agents will be presented.

报告人简介:

Professor Clary has degrees from the Universities of Sussex (B.Sc 1974) and Cambridge (Ph D 1977, Sc.D. 1998). He did research in IBM, San Jose California (1977-78) and the University of Manchester (1978-80) before taking up a lectureship at UMIST in 1980. He moved to Cambridge in 1983 where he became a Reader in Theoretical Chemistry and was a Fellow of Magdalene College. In 1996 he was appointed to a Chair at UCL and was the Director of the Centre for Theoretical and Computational Chemistry. From 2002-5 he was Head of the Division of Mathematical and Physical Sciences at the University of Oxford and a Professorial Fellow of St John’s College. In 2005 he was elected President of Magdalen College, Oxford. He also directs a research group in the Department of Physical and Theoretical Chemistry at Oxford.

David Clary is a Fellow of the Royal Society, the American Association for the Advancement of Science, the American Physical Society, the Royal Society of Chemistry (RSC) and the Institute of Physics. He is a Foreign Honorary Member of the American Academy of Arts and Sciences and is a Member of the International Academy of Quantum Molecular Sciences. He received the Meldola, Marlow, Corday-Morgan, Tilden, Polanyi and Chemical Dynamics Medals of the RSC, and the medal of the International Academy of Quantum Molecular Sciences.

Clary is Editor of Chemical Physics Letters, Editor of Chemical Physics Impact and is on the Board of Reviewing Editors of Science.

Clary is a theoretical chemist with expertise on developing new theories and computer algorithms to calculate the rates of chemical reactions using quantum mechanics. His research has particularly useful applications to chemical systems which are hard to study in laboratory experiments such as reactions for very cold or very hot temperatures and highly toxic compounds.

 

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