Author of the publication

A Quadratically-Converging Nudged Elastic Band Optimizer

, , and . Journal of Chemical Theory and Computation, (2013)

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

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)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)A Quadratically-Converging Nudged Elastic Band Optimizer, , and . Journal of Chemical Theory and Computation, (2013)Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach, , , , , , , , , and 5 other author(s). ACS Catal., (2020)Silicate-mediated interstellar water formation: a theoretical study, , , , , and . Monthly Notices of the Royal Astronomical Society, 482 (4): 5389-5400 (November 2019)Grain-Surface Hydrogen-Addition Reactions as a Chemical Link Between Cold Cores and Hot Corinos: The Case of H₂CCS and CH₃CH₂SH, , , , , , , , , and 3 other author(s). J. Phys. Chem. A, (2022)Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis, , , , , , , , , and 10 other author(s). Catal. Sci. Technol., 13 (12): 3709-3724 (2023)Gaussian process regression for geometry optimization, and . J. Chem. Phys., 148 (9): 094114 (2018)