Publications
Found 5 results
Filters: Author is Kehang Han [Clear All Filters]
Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation. Journal of Chemical Information and Modeling. 61:2686–2696.
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2021. Scalability strategies for automated reaction mechanism generation. Computers & Chemical Engineering. 131:106578.
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2019. Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry. The Journal of Physical Chemistry A. 123:2142-2152.
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2019. An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation. International Journal of Chemical Kinetics. 50:294-303.
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2018. On-the-Fly Pruning for Rate-Based Reaction Mechanism Generation. Computers and Chemical Engineering. 100:1-8.
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2017.