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...
Saved in:
| Main Authors: | , , , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
2017
|
| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/86516 http://hdl.handle.net/10220/44056 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|