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1 article related to "Reactive Force Fields"

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Articles

Original Research

Published on 29 Aug 2022

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

in Chemical Physics and Physical Chemistry

Zacharias G. Fthenakis
Ioannis D. Petsalakis
Valentina Tozzini
Nektarios N. Lathiotakis

Frontiers in Chemistry

doi 10.3389/fchem.2022.951261

7,813 views
36 citations