Base on the nonequilibrium solvation theory, the numerical calculation formulas for the conductor-like-screening-model ( COSMO ) have been established.

  • 基于非平衡溶剂化理论, 推导了用于非平衡溶剂化能数值计算的类导体屏蔽模型 ( COSMO ) 的相关公式.

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