作用场方法• 作用场(reaction field)是一种简便的计算库伦能的方法, 此方法计算截断半径内所有电荷间的库伦静电作用, 而将截断半径外视为介电常数为εs的均匀介质, 介...
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armature reaction field 电枢反力场
Self-Consistent Reaction Field 自洽反应场 ; 这就是自洽反应场 ; 反应场 ; 一种是自洽反应场
Reaction Field Theory 反应场理论
armature e reaction field 电枢反力场
The solvent effects are carried out by the self-consistent reaction field 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。
A detailed discussion is made on continuum model of solvent effects. Electrostatic model and self-consistent reaction field 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。
The calculations of self-consistent reaction field (SCRF) method illustrated that the brain uptakes of the complexes relied on their absolute hydrate free energies.
溶剂自洽反应场方法的计算结果表明同类配合物的脑吸收值取决于绝对水化自由能;
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