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Principal Interacting Orbital: A Chemically Intuitive Method for Deciphering Bonding Interactions

发布日期:2020年12月21日   浏览次数:

报告题目:Principal Interacting Orbital: A Chemically Intuitive Method for Deciphering Bonding Interactions

报告人:林振阳教授,  香港科技大学

时间:2020年12月23日10:00

地点:曾呈奎楼3楼B311

直播链接:https://m.koushare.com/lives/room/850936


报告摘要:

Recently, we have developed a novel framework, Principal Interacting Orbital (PIO) analysis, to understand chemical interactions between two chemical fragments. The PIO method allows to quickly identify the “dominant interacting orbitals” that are semi-localized and easily interpretable. In this talk, the theoretical foundation of the framework and its application to analysis of various chemical systems will be presented. Extension of this method to open-shell systems will be also discussed.


报告人简介:

Zhenyang Lin received his B.Sc. from China University of Geosciences in 1982 and his MPhil degree in 1985 from Fujian Institute of Research on the Structure of Matter (CAS). He did his PhD work in Inorganic Chemistry Laboratory of the University of Oxford under the supervision of Professor D. Michael P. Mingos and his postdoctoral work at Texas A&M University with Professor Michael B. Hall. He joined the Hong Kong University of Science and Technology (HKUST) in 1994. He served as the Department Head of Chemistry from January 2011 to August 2018. Since July 2019, he has been a Chair Professor. His research interests include theoretical aspects of structure, bonding and reactivity of inorganic and organometallic compounds, and homogeneous catalysis. He has co-authored over 400 publications (including 9 book chapters and one co-edited book). His H-index is 64.


报告人 林振阳教授,香港科技大学 时间 2020年12月23日10:00
地点 曾呈奎楼3楼B311 月份 12
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