Self-Consistent Reaction Field的意思|示意
自洽反应场
Self-Consistent Reaction Field的网络常见释义
自洽反应场 在此我们是利用架设于Onsager反应场理论(Reaction Field Theory)上之 自洽反应场 ( self-consistent reaction field )方法,以研究溶剂效应对整个异构化反应过程的影响。
这就是自洽反应场 ...拟成具有一致介电常数ε 的连续介质(反应场),溶质处于溶剂形成的 空穴中,这就是自洽反应场(Self-Consistent Reaction Field, SCRF)方法 [30] 。
反应场 ...院学报》 2006年第14卷第3期 摘 要: 目前计算溶剂效应的方法主要有两种:一种是自洽反应场(self-consistent reaction field,SCRF)理论计算法,该方法从发展初期至今一直应用广泛:另一类是将量子力学(quantum mechanics...
一种是自洽反应场 ...院学报》 2006年第14卷第3期 摘 要: 目前计算溶剂效应的方法主要有两种:一种是自洽反应场(self-consistent reaction field,SCRF)理论计算法,该方法从发展初期至今一直应用广泛:另一类是将量子力学(quantum mechanics...
Self-Consistent Reaction Field相关短语
1、 self consistent reaction field method 自洽反应场方法
2、 self-consistent reaction field method 自洽反应场方法
Self-Consistent Reaction Field相关例句
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;