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Structural Properties and Dynamics of Thiophene in Sub/Supercritical Carbon Dioxide from Car–Parrinello Molecular Dynamics Simulations

Structural Properties and Dynamics of Thiophene in Sub/Supercritical Carbon Dioxide from Car–Parrinello Molecular Dynamics Simulations

Zeng, Yongping; Wang, Chunfeng; Xu, Yueyang; Xu, WenLin; Ju, Shengui
  • 期刊名称The Journal of Physical Chemistry B
  • 作者Zeng, Yongping; Wang, Chunfeng; Xu, Yueyang; Xu, WenLin; Ju, Shengui
  • 卷第119卷
  • 期第27期
  • 印刷ISSN1520-6106
  • 电子ISSN1520-5207
  • 文件大小3225.51KB
  • 发表时间2015-07-09
  • DOI10.1021/acs.jpcb.5b01430
  • 页码8573-8582
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