搜索:  
ChemRate (美国标准与技术研究院NIST提供的单分子反应计算数据基础)(免费)
链接地址: http://www.nist.gov/kinetics/chemrate/chemrate.html
内容简介:

ChemRate is a program that contains data bases containing experimental results on unimolecular reactions, information pertaining to transition state and  molecular structures necessary for the calculation of high pressure rate constants and thermal functions respectively. It contains a master equation solver so that rate constants for unimolecular reactions in the energy transfer region and chemical activation processes under steady and non-steady state conditions can be determined on the basis of RRKM theory.

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