Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation

Mengjie Liu, Alon Grinberg Dana, Matthew S. Johnson, Mark J. Goldman, Agnes Jocher, A. Mark Payne, Colin A. Grambow, Kehang Han, Nathan W. Yee, Emily J. Mazeau, Katrin Blondal, Richard H. West, C. Franklin Goldsmith, William H. Green Jr.. Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation. Journal of Chemical Information and Computer Sciences, 61(6):2686-2696, 2021. [doi]

Abstract

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