A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

Journal of Physics Condensed Matter - Tập 14 Số 4 - Trang 783-802 - 2002
Donald W. Brenner1, Olga Shenderova1, Judith A. Harrison2, Steven J. Stuart3, Boris Ni4, Susan B. Sinnott4
1Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695-7907 USA
2Department of Chemistry, United States Naval Academy, Annapolis, MD, 21402, USA
3Department of Chemistry, Clemson University, Clemson, SC 29634-0973, USA
4Department of Materials Science & Engineering, University of Florida, Gainesville, Fl 32611–6400, USA.

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