%0 Journal Article
%T Single-sphere model for solvent reorganization energy and its application to electron transfer
%A ZHOU Chongwen
%A ZHU Quan
%A FU Kexiang
%A LI Xiangyuan
%A <br>ZHOU
%A Chongwen
%A ZHU
%A Quan
%A FU
%A Kexiang
%A LI
%A Xiangyuan
%J 科学通报(英文版)
%D 2006
%I 
%X In this work, the authors give detailed deductions and develop the single-sphere model of solvent reorganization energy in electron transfer with point dipole approximation. At the level of DFT/6- 31 G**, the electron transfer between 7,7,8,8-tet-racyanoquinodimethane and its anion has been investigated. Using the novel single-sphere model, the authors evaluate the solvent reorganization energy of this system, and the computational result proves rational in comparison with the experimental estimations.
%K nonequilibrium solvation
%K electron transfer
%K solvent re-organization energy
%K single-sphere model<br>电子转移
%K 非平衡溶剂化物
%K 单球模型
%K 溶剂重组能
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=01BA20E8BA813E1908F3698710BBFEFEE816345F465FEBA5&cid=96E6E851B5104576C2DD9FC1FBCB69EF&jid=DD6615BC9D2CFCE0B6F945E8D5314523&aid=01717CF2E2233137DB2892F9FD417D2B&yid=37904DC365DD7266&vid=987EDA49D8A7A635&iid=5D311CA918CA9A03&sid=F52FA2254444BE97&eid=FE2777263ADBA5FE&journal_id=1001-6538&journal_name=科学通报(英文版)&referenced_num=0&reference_num=15