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Project

Application-driven automated ReaxFF force field parameterization

Information

Project Team

Outputs and Outcomes

Publications

A reactive molecular dynamics study of chlorinated organic compounds, part I : force field development

Leonid Maximowitsch KomissarovLukas KrepFelix SchmalzWassja A. KoppKai LeonhardToon Verstraelen

A1 Journal Article in CHEMPHYSCHEM

2023