Title: Development of a Charge-Implicit ReaxFF Potential for Hydrocarbon Systems
Authors: Michał Kański, Dawid Maciążek, Zbigniew Postawa, Chowdhury M. Ashraf, Adri C. T. van Duin, Barbara J. Garrison
Journal: The Journal of Physical Chemistry Letters
Publication type: article
DOI: 10.1021/acs.jpclett.7b03155