Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation - Liu, Mengjie; Grinberg Dana, Alon; Johnson, Matthew S; Goldman, Mark J; Jocher, Agnes; Payne, A. Mark; Grambow, Colin A; Han, Kehang; Yee, Nathan W; Mazeau, Emily J; Blondal, Katrin; West, Richard H; et al. (Journal of chemical information and modeling, 2021)
Keywords: Algorithms; Chemical Information; Chemistry; Computer science; INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Isomorphism; Liquid phases; Machine learning; Mathematical models; Molecules; Parallel processing; Parameter sensitivity; Pharmacology & pharmacy; Reaction kinetics; Reaction mechanisms; Resonance structures; Sensitivity analysis; Surface reactions; Thermochemistry; Uncertainty analysis