【Key words】 Intrinsic reaction coordinate(IRC); Chemical reaction path; Product vibrational state distribution
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本文为寻求合成某种物质的化学反应途径及步骤，设计出化学合成专家系统ESCS。
An expert system for chemical synthesis -ESCS was developed, in order to find synthesis paths and steps of one substance.
纤维素及其衍生物是制造纤维和功能性物质的基本原材料，可通过纤维素的化学反应来寻求一种较有实际意义的应用途径。
Cellulose and its derivatives are basic materials for manufacture of fibres and functional materials. A more practical way of application can be explored through chemical reactions of cellulose.
正碳离子是重要的有机化学反应中间产物，而氢原子移位则是正碳离子异构化的主要反应途径。
Carbon cations are important organic reaction intermediates, and hydrogen shift is a key path through which carbon cations isomerizes.
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