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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| Main Authors: | , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
2017
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/86516 http://hdl.handle.net/10220/44056 |
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| Institution: | Nanyang Technological University |
| Language: | English |