Nonadiabatic Tunneling in Photodissociation of Phenol
Nonadiabatic Tunneling in Photodissociation of Phenol
复制标题
苯酚光解离中的非绝热隧道效应
DOI：
10.1021/jacs.6b03288
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发表时间：
2016-06-29
影响因子：
15
通讯作者：
Guo, Hua
中科院分区：
文献类型：
--
作者：
Xie, Changjian;Ma, Jianyi;Guo, Hua
Using recently developed full-dimensional coupled quasi-diabatic ab initio potential energy surfaces including four electronic ((1)pi pi, (1)pi pi*, 1(1)pi sigma* and 2(1)pi sigma*) states, the tunneling dynamics of phenol photodissociation via its first excited singlet state (S-1
