Revealing chemical reactions of coal pyrolysis with GPU-enabled ReaxFF molecular dynamics and cheminformatics analysis
作者： Xiaoxia Li , Zheng Mo , Jian Liu , Li Guo
DOI: 10.1080/08927022.2014.913789
关键词:
摘要: … power, recent progress in coal molecular model has improved the model scale,7… of coal pyrolysis using ReaxFF MD is very challenging and the methodology reviewed in this paper …
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