Molecular dynamics study on thermal decomposition characteristics of synthetic ester oil

ReaxFF:  A Reactive Force Field for Hydrocarbons

Adri C. T. van Duin, Siddharth Dasgupta, François Lorant et al. · The Journal of Physical Chemistry A · 2001 · 6.3K citations

Natural Sciences, Chemistry, Physics +17

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

Kimberly Chenoweth, Adri C. T. van Duin, William A. Goddard · The Journal of Physical Chemistry A · 2008 · 2.6K citations

Natural Sciences, Chemistry, Physics +17

Temperature-accelerated dynamics for simulation of infrequent events

M. R. So rensen, Arthur F. Voter · The Journal of Chemical Physics · 2000 · 864 citations

Natural Sciences, Materials Science, Physics +17

Simulations on the Thermal Decomposition of a Poly(dimethylsiloxane) Polymer Using the ReaxFF Reactive Force Field

Kimberly Chenoweth, Sam Cheung, Adri C. T. van Duin et al. · Journal of the American Chemical Society · 2005 · 495 citations

Natural Sciences, Materials Engineering, Materials Science +17

Extension of the ReaxFF Combustion Force Field toward Syngas Combustion and Initial Oxidation Kinetics

Chowdhury Ashraf, Adri C. T. van Duin · The Journal of Physical Chemistry A · 2017 · 391 citations

Natural Sciences, Chemical Engineering, Chemistry +17