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...
| Main Authors: | , , , , , |
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| 其他作者: | |
| 格式: | 文件 |
| 语言: | en_US |
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Annual Reviews
2012
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| 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 |