Evaluating the performance of ReaxFF potentials for sp2 carbon systems (graphene, carbon nanotubes, fullerenes) and a new ReaxFF potential

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Authors: Zacharias G Fthenakis, Ioannis D Petsalakis, V Tozzini, Nektarios N Lathiotakis

Journal title: Physical Chemistry and Chemical Physics

Journal publisher: Frontiers in Chemistry

Published year: 2022

DOI identifier: 10.3389/fchem.2022.951261

ISSN: 2296-2646