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Theoretical study on the isomerization reaction of fluorine substituted disilene

Theoretical study on the isomerization reaction of fluorine substituted disilene
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摘要 For the isomerization reaction of monofluoro-disilene,the geometrical structures of reac- tant,product and transition state have been optimized and energy constant,vibrational frequency calculated.By means of the statistical thermodynamics and Eyring's transition state theory,the equilibrium constant,rate constant and heat of isomerization have also been computed.Hence, this reaction has been analysed completely. For the isomerization reaction of monofluoro-disilene,the geometrical structures of reac- tant,product and transition state have been optimized and energy constant,vibrational frequency calculated.By means of the statistical thermodynamics and Eyring's transition state theory,the equilibrium constant,rate constant and heat of isomerization have also been computed.Hence, this reaction has been analysed completely.
出处 《Chinese Journal of Chemistry》 SCIE CAS CSCD 1990年第3期193-198,共2页 中国化学(英文版)
基金 This research was supported by the National Natural Science Foundation of China.
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