Scalability strategies for automated reaction mechanism generation
Detailed modeling of complex chemical processes, like pollutant formation during combustion events, remains challenging and often intractable due to tedious and error-prone manual mechanism generation strategies. Automated mechanism generation methods seek to solve these problems but are held back b...
| Main Authors: | , , , , , , |
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| Other Authors: | |
| Format: | Article |
| Published: |
Elsevier BV
2020
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| Online Access: | https://hdl.handle.net/1721.1/124333 |