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Institution Date Title Author
國立交通大學 2019-04-03T06:42:38Z Intersystem crossing-branched excited-state intramolecular proton transfer for o-nitrophenol: An ab initio on-the-fly nonadiabatic molecular dynamic simulation Xu, Chao; Yu, Le; Zhu, Chaoyuan; Yu, Jianguo; Cao, Zexing
國立交通大學 2018-08-21T05:54:03Z Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation Gan, Yanzhen; Yue, Ling; Guo, Xugeng; Zhu, Chaoyuan; Cao, Zexing
國立交通大學 2018-08-21T05:53:49Z TDDFT studies for electronic excitations of the intermediates and radicals in the pyrolysis of 2,5-dimethylfuran Li, Yuanyuan; Cao, Zexing; Zhu, Chaoyuan

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