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[会议论文] 作者:Ting-Jun Bi,Xiang-Yuan Li,
来源:The 15th ICQC International Congress of Quantum Chemistry(第1 年份:2015
Electron transfer(ET) is a fundamental chemical reaction that impacts a variety of chemical systems,from biology to electronic devices[1-2]....
[会议论文] 作者:Ting-Jun Bi,Xiang-Yuan Li,
来源:中国化学会第30届学术年会 年份:2017
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[会议论文] 作者:Ting-Jun Bi,Hai-Sheng Ren,Xiang-Yuan Li,
来源:第十二届全国量子化学会议 年份:2014
Within the framework of constrained density functional theory(CDFT),the diabatic or charge localized states in electron transfer(ET)are constructed,providing an approach to direct calculation of inner...
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