Numerical algorithm for solvent reorganization energy by continuum model combined with constrained e

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：sanrenET

【摘要】

：

In our previous work[1],a rational novel formula of electrostatic solvation energy for nonequilibrium polarization has been derived by introducing the method of constrained equilibrium state [2] in th

【作者】

：

Mei-Jun Ming Xiang-Yuan Li

【机构】

：

College of Chemical Engineering,Sichuan University,Chengdu 610065,China

【出处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

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Numerical algorithm for solvent reorganization energy by continuum model combined with constrained e

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