Computational approaches in zeolite structural chemistry

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作者
Newsam, JM
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O64 [物理化学(理论化学)、化学物理学];
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070304 ; 081704 ;
摘要
Computer simulation impacts almost all branches of zeolite research. This orientational overview touches applications to zeolite structural characterization and to the prediction of various properties, particularly those associated with sorption, focusing on the issues associated with applying modeling and simulation effectively in these areas. A small number of specific examples are used to illustrate particular points and opportunity areas for progress over the next five years are identified.
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页码:231 / 265
页数:35
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