The solvent effects are carried out by the self-consistent reactionfield theory with the polarizable continuum model in this work.
本文用自洽反应场的连续极化模型来模拟计算溶剂效应。
2
A detailed discussion is made on continuum model of solvent effects. Electrostatic model and self-consistent reactionfield model are thoroughly reviewed.
对溶剂化效应的连续介质模型，包括经典静电场模型和自洽反应场模型作了较为详细的讨论。
3
The calculations of self-consistent reactionfield (SCRF) method illustrated that the brain uptakes of the complexes relied on their absolute hydrate free energies.