Extended first-principles thermochemistry for the oxidation of titanium tetrachloride
A detailed first-principles investigation of the gas-phase precursor chemistry of titanium tetrachloride (TiCl4) in an O2 environment is used to identify the thermodynamically most stable oxidation products. Candidate species are systematically proposed based on twelve manually defined base moieties...
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| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
2019
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/107588 http://hdl.handle.net/10220/50340 |
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| Institution: | Nanyang Technological University |
| Language: | English |