ReaxFF molecular dynamics study on oxidation behavior of 3C-SiC: Polar face effects

By Yu Sun   Yi-Jun Liu   Fei Xu  

Chinese Physics B, Vol. 24, Iss. 9, 2015-09 ,pp. : 96203-96208

IOP Publishing

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ReaxFF molecular dynamics simulations of intermediate species in dicyanamide anion and nitric acid hypergolic combustion

By Weismiller Michael R   Junkermeier Chad E   Russo Michael F   Salazar Michael R   Bedrov Dmitry   van Duin Adri C T  

Modelling and Simulation in Materials Science and Engineering, Vol. 23, Iss. 7, 2015-10 ,pp. : 74007-74019

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Research on pyrolysis of toluene under microwave heating by using ReaxFF molecular dynamics simulations

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Molecular Physics, Vol. 112, Iss. 12, 2014-06 ,pp. : 1724-1730

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Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field

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New Journal of Physics, Vol. 17, Iss. 10, 2015-10 ,pp. : 56-65

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Structure of liquid carbon disulphide: a molecular dynamics study

By Steinhauser O.   Neumann M.  

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