Front Cover: Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality (ChemPhysChem 6/2018)

著录项

• 来源
  《Chemphyschem: A European journal of chemical physics and physical chemistry》 |2018年第6期|共1页
• 作者

  Wei Qichao; Zhao Weilong; Yang Yang; Cui Beiliang; Xu Zhijun; Yang Xiaoning;

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• 作者单位

  College of Chemical EngineeringNanjing Tech UniversityNanjing 210009 P.R. China;

  Department of Polymer ScienceUniversity of AkronAkron OH 44325-3909 USA;

  Department of ChemistryHaverford CollegeHaverford PA 19041 USA;

  Network Information CenterNanjing Tech UniversityNanjing 210009 P.R. China;

  College of Chemical EngineeringNanjing Tech UniversityNanjing 210009 P.R. China;

  College of Chemical EngineeringNanjing Tech UniversityNanjing 210009 P.R. China;

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• 收录信息
• 原文格式 PDF
• 正文语种 eng
• 中图分类 物理化学（理论化学）、化学物理学;
• 关键词

  adsorption; free energy calculations; molecular dynamics; surface analysis; water chemistry;

  机译：吸附;自由能量计算;分子动力学;表面分析;水化学;