The diabatic picture of electron transfer, reaction barriers and molecular dynamics

Diabatic states have a long history in chemistry, beginning with early valence bond pictures of molecular bonding and extending through the construction of model potential energy surfaces to the modern proliferation of methods for computing these elusive states. In this review, we summarize the basi...

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Main Authors: Van Voorhis, Troy, Kowalczyk, Timothy Daniel, Kaduk, Benjamin James, Wang, Lee-Ping, Cheng, Chiao-Lun, Wu, Qin
其他作者: Massachusetts Institute of Technology. Department of Chemistry
格式: 文件
语言:en_US
出版: Annual Reviews 2012
在线阅读:http://hdl.handle.net/1721.1/69649
https://orcid.org/0000-0001-6350-6672
https://orcid.org/0000-0001-7111-0176