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A Quadratically-Converging Nudged Elastic Band Optimizer, , and . Journal of Chemical Theory and Computation, (2013)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)Catalytic Mechanism of Salicylate Dioxygenase: QM/MM Simulations Reveal the Origin of Unexpected Regioselectivity of the Ring Cleavage, and . Chem. Eur. J., (2017)Gold(I) Vinylidene Complexes as Reactive Intermediates and Their Tendency to -Backbond, , , , and . Chemistry - a European journal, 22 (9): 2892-2895 (2016)Unraveling the Nature of the Catalytic Power of Fluoroacetate Dehalogenase, , , , and . ChemCatChem, 10 (5): 1052-1063 (2018)Tunneling Rate Constants for H2CO+H on Amorphous Solid Water Surfaces, and . Astrophysical journal, 850 (2): 118 (2017)Low-Temperature Kinetic Isotope Effects in CH3OH + H → CH2OH + H2 Shed Light on the Deuteration of Methanol in Space, and . Journal of Physical Chemistry. A, 123 (42): 9061-9068 (2019)A sodium bis(perfluoropinacol) borate-based electrolyte for stable, high-performance room temperature sodium-sulfur batteries based on sulfurized poly(acrylonitrile), , , , and . Electrochemistry Communications, (2021)