Computational Calorimetry: High-Precision Calculation of Host–Guest Binding Thermodynamics

Lignende værker

• Bridging Calorimetry and Simulation through Precise Calculations of Cucurbituril–Guest Binding Enthalpies
  af: Fenley, Andrew T., et al.
  Udgivet: (2014)
• Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics
  af: Yin, Jian, et al.
  Udgivet: (2015)
• Evaluating Force Field Performance in Thermodynamic Calculations of Cyclodextrin Host–Guest Binding: Water Models, Partial Charges, and Host Force Field Parameters
  af: Henriksen, Niel M., et al.
  Udgivet: (2017)
• Binding Enthalpy Calculations for a Neutral Host-Guest Pair Yield Widely Divergent Salt Effects across Water Models
  af: Gao, Kaifu, et al.
  Udgivet: (2015)
• Bind3P: Optimization of a Water Model Based on Host-Guest Binding Data
  af: Yin, Jian, et al.
  Udgivet: (2018)