Revealing chemical reactions of coal pyrolysis with GPU-enabled ReaxFF molecular dynamics and cheminformatics analysis

Publisher： Taylor & Francis Ltd

E-ISSN： 1029-0435|41|1-3|13-27

ISSN： 0892-7022

Source： Molecular Simulation, Vol.41, Iss.1-3, 2015-02, pp. : 13-27

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