Scalability strategies for automated reaction mechanism generation

Agnes Jocher, Nick M. Vandewiele, Kehang Han, Mengjie Liu, Connie W. Gao, Ryan J. Gillis, William H. Green. Scalability strategies for automated reaction mechanism generation. Computers & Chemical Engineering, 131, 2019. [doi]

Authors

Agnes Jocher

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Nick M. Vandewiele

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Kehang Han

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Mengjie Liu

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Connie W. Gao

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Ryan J. Gillis

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William H. Green

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