ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation
Author:
Affiliation:
1. Materials and Process Simulation Center (139-74), California Institute of Technology, Pasadena, California 91125
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp709896w
Reference74 articles.
1. Detailed chemical kinetic models for the combustion of hydrocarbon fuels
2. Chemical Kinetics of High Temperature Combustion
3. Chemical Kinetics and Combustion Modeling
4. Formation of polycyclic aromatic hydrocarbons and their growth to soot—a review of chemical reaction pathways
5. Theory and modeling in combustion chemistry
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