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Zhirui Xiang1, Chao Gao2, Teng Long3

  • 1Department of Chemistry and Materials Science, Xi'an Jiaotong-Liverpool University, Suzhou 215123, Jiangsu, P. R. China.

概括

这项研究对聚二甲基素的力场进行了基准测试,这对于精确的分子模拟至关重要. 结果指导了更好的力场的开发,提高了对各种工业应用的热和传输性能的预测.

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