Publications by authors named "Sebastian Dohm"

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Semiautomated Transition State Localization for Organometallic Complexes with Semiempirical Quantum Chemical Methods.
Sebastian Dohm, Markus Bursch, Andreas Hansen, Stefan Grimme

J Chem Theory Comput· March 2020

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Comprehensive Thermochemical Benchmark Set of Realistic Closed-Shell Metal Organic Reactions.
Sebastian Dohm, Andreas Hansen, Marc Steinmetz, Stefan Grimme, Marek P Checinski

J Chem Theory Comput· May 2018

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Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra.
Stefan Grimme, Christoph Bannwarth, Sebastian Dohm, Andreas Hansen, Jana Pisarek

Angew Chem Int Ed Engl· November 2017

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trans-cis C-Pd-C rearrangement in hemichelates.
Christophe Werlé, Sebastian Dohm, Corinne Bailly, Lydia Karmazin, Louis Ricard

Dalton Trans· June 2017

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Developing adaptive QM/MM computer simulations for electrochemistry.
Sebastian Dohm, Eckhard Spohr, Martin Korth

J Comput Chem· January 2017

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