Author of the publication

Instanton rate constant calculations close to and above the crossover temperature

, and . J. Comput. Chem. (2017)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

A Quadratically-Converging Nudged Elastic Band Optimizer, , and . Journal of Chemical Theory and Computation (2013)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)Gold(I) Vinylidene Complexes as Reactive Intermediates and Their Tendency to -Backbond, , , , and . Chemistry - a European journal 22 (9): 2892-2895 (2016)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 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)