Density-Dependent Liquid Nitromethane Decomposition: Molecular Dynamics Simulations Based on ReaxFF

Author:

Rom Naomi1,Zybin Sergey V.2,van Duin Adri C. T.3,Goddard William A.2,Zeiri Yehuda45,Katz Gil1,Kosloff Ronnie1

Affiliation:

1. Fritz Haber Research Center for Molecular Dynamics, Hebrew University, Jerusalem 91904, Israel

2. Materials and Process Simulation Center, 139-74, California Institute of Technology, Pasadena, California 91125, United States

3. Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States

4. Bio-medical Engineering, Ben Gurion University, Beer-Sheva 84105, Israel

5. Division of Chemistry, NRCN, P.O. Box 9001, Beer-Sheva 84190, Israel

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

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