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清华化工论坛第86讲-Understanding and Controlling Zeolite Synthesis
Cooperative late transition metal pincer complexes for manufacturing B-Nbased...
碳中和背景下林木纤丝的可持续化开发
清华大学化工系绿电化工研究中心 学术论坛:Microenvironment tuning for CO2 elec...
报告题目:
Computer Modelling of Inorganic Materials
 报告人:
Prof. C.R.A. Catlow,
报告时间:
2006-05-15 09:30
报告地点:
化学工程系(工物馆)324东会议室
主办单位:
化学工程系
  简介:

Catlow 教授是英国皇家学会会员(Fellow of the Royal Society),UCL大学(University College London)化学系系主任,并在Davy faraday research laboratoy主持工作。长期从事固体材料的计算机模拟研究,利用力场及量子力学技术揭示复杂无机材料的结构、性质及反应特征,涉及的体系主要有多孔分子筛和金属化合物等。至今已出版多部学术著作,并在Nature, JACS, Physical Review B, Journal of Physical Chemistry B 等杂志发表700多篇学术论文。在1992年和1998获英国皇家化学会奖。代表性著作和论文:
1.Modelling of Structure and Reactivity in Zeolites, 1992
2.Computer Modelling in Inorganic Crystallography,1997
3.Computational Materials Science, 2003.

4.De novo design of structure-directing agents for the synthesis of microporous solids, Nature, 1996, 382, 604.

5.Simulation of the embryonic stage of ZnS formation from aqueous solution, JACS, 2005, 127(8), 2580.

6.Simulating dehydration: a novel hybrid molecular dynamics method, Molecular simulation, 2004,30(5), 323.

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