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Catalytic Mechanism of Salicylate Dioxygenase: QM/MM Simulations Reveal the Origin of Unexpected Regioselectivity of the Ring Cleavage, and . Chem. Eur. J., (2017)Dual-Level Approach to Instanton Theory, and . J. Chem. Theory Comput., (2018)Double Regioselective Asymmetric C-Allylation of Isoxazolinones: Iridium-Catalyzed N-Allylation Followed by an Aza-Cope Rearrangement, , , , and . Angew. Chem. Int. Ed., 57 (5): 1404-1408 (2018)Atom Tunneling in the Water Formation Reaction H₂ + OH → H₂O + H on an Ice Surface, , and . ACS Earth Space Chem., (2017)A Quadratically-Converging Nudged Elastic Band Optimizer, , and . Journal of Chemical Theory and Computation, (2013)An Aluminum Fluoride Complex with an Appended Ammonium Salt as an Exceptionally Active Cooperative Catalyst for the Asymmetric Carboxycyanation of Aldehydes, , , , , , , and . Angewandte Chemie. International edition, 56 (14): 4056-4060 (2017)Tunneling Rate Constants for H2CO+H on Amorphous Solid Water Surfaces, and . Astrophysical journal, 850 (2): 118 (2017)Tunneling Reaction Kinetics for the Hydrogen Abstraction Reaction H + H2S -> H-2 + HS in the Interstellar Medium, and . The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 121 (51): 9736-9741 (2017)Importance of tunneling in H-abstraction reactions by OH radicals The case of CH4 + OH studied through isotope-substituted analogs, , , , and . Astronomy & astrophysics, (2017)An anionic molybdenum amidato bisalkyl alkylidyne complex, , , , and . Journal of organometallic chemistry, (2015)