Theoretical Study of the Ti–Cl Bond Cleavage Reaction in TiCl4

Theoretical Study of the Ti–Cl Bond Cleavage Reaction in TiCl4

In this work the kinetics of the TiCl4 ⇌ TiCl3 + Cl reaction is studied theoretically. A variable-reaction coordinate transition-state theory (VRC-TST) is used to calculate the high-pressure limit rate coefficients. The interaction energy surface for the VRC-TST step is sampled directly at the caspt...

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書目詳細資料
Main Authors:	Nurkowski, Daniel, Jasper, Ahren W., Akroyd, Jethro, Kraft, Markus
其他作者:	School of Chemical and Biomedical Engineering
格式:	Article
語言:	English
出版:	2017
主題:	Rate constant TiCl4
在線閱讀:	https://hdl.handle.net/10356/86516 http://hdl.handle.net/10220/44056
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	Nanyang Technological University
語言:	English

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