"Development of an empirical force field CRACK for n-alkanes that allows ..."

Kailiang Yin et al. (2006)

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DOI: 10.1016/J.COMPCHEMENG.2006.02.005

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type: Journal Article

metadata version: 2020-05-18

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Kailiang Yin, Qing Xia, Duanjun Xu, Yajing Ye, Chenglung Chen:
Development of an empirical force field CRACK for n-alkanes that allows for classical molecular dynamics simulations investigating the pyrolysis reactions. Comput. Chem. Eng. 30(9): 1346-1353 (2006)

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