Electronic supporting information for "A reactive molecular dynamics study of chlorinated organic compounds. Part I: force field development"

Zenodo (CERN European Organization for Nuclear Research)

Abstract

The ZIP file in this record was originally submitted as electronic supporting information for the following article: "A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I: Force Field Development"Leonid Komissarov, Lukas Krep, Felix Schmalz, Wassja A. Kopp, Kai Leonhard, Toon VerstraelenChemPhysChem 2023, 24, e202200786https://doi.org/10.1002/cphc.202200786 This dataset is not (or no longer) available at the publishers website at the time this Zenodo record was created.

Authors 6

1. Leonid Komissarov
2. Lukas Krep Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University

3. Felix Schmalz Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University

4. Wassja A. Kopp

   Heinrich Heine University Düsseldorf

   Affiliation as printed

   Heinrich Heine University Düsseldorf

5. Kai O. Leonhard Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University

6. Toon Verstraelen

   Ghent University

   Affiliation as printed

   Ghent University