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浏览/检索结果: 共7条，第1-7条 帮助 限定条件 学科主题：物理化学     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method 期刊论文 computational and theoretical chemistry, 2013, 卷号: 1023, 页码: 10-18 作者:  Fan, Guohong;  Liu, Jianyong;  He, Guozhong 收藏  |  浏览/下载：15/0  |  提交时间：2014/09/11 Nonadiabatic dynamics  Photo-isomerization  Zhu-Nakamura theory  Bridged-azobenzene  Time-dependent density functional tight-binding method   Photophysical Properties of Self-Assembled Multinuclear Platinum Metallacycles with Different Conformational Geometries 期刊论文 journal of the american chemical society, 2013, 卷号: 135, 期号: 17, 页码: 6694-6702 作者:  Chen, Jun-Sheng;  Zhao, Guang-Jiu;  Cook, Timothy R.;  Han, Ke-Li;  Stang, Peter J. 收藏  |  浏览/下载：21/0  |  提交时间：2014/09/11 Hydrogen Bonding Effects on the Photophysical Properties of 2,3-dihydro-3-keto-1H-pyrido[3,2,1-kl]phenothiazine 期刊论文 chinese journal of chemical physics, 2012, 卷号: 25, 期号: 3, 页码: 254-260 作者:  Yang, Song-qiu;  He, Guo-zhong 收藏  |  浏览/下载：18/0  |  提交时间：2013/10/11 2  Time-dependent density functional theory  Femtosecond transient absorption spectroscopy  Hydrogen bonding effect  3-dihydro-3-keto-1H-pyrido[3  2  1-kl]phenothiazine   Theoretical studies of ground and excited electronic states in a series of heteroleptic iridium complexes using density functional theory 期刊论文 international journal of quantum chemistry, 2012, 卷号: 112, 期号: 11, 页码: 2422-2428 作者:  Su, Yan;  Kang, Li-Hua 收藏  |  浏览/下载：54/0  |  提交时间：2013/10/11 absorption spectrum  emission properties  charge transfer  density functional calculations   The invalidity of the photo-induced electron transfer mechanism for fluorescein derivatives 期刊论文 physical chemistry chemical physics, 2012, 卷号: 14, 期号: 43, 页码: 15191-15198 作者:  Zhou, Panwang;  Liu, Jianyong;  Yang, Songqiu;  Chen, Junsheng;  Han, Keli 收藏  |  浏览/下载：13/0  |  提交时间：2013/10/11 TDDFT Study on Different Sensing Mechanisms of Similar Cyanide Sensors Based on Michael Addition Reaction 期刊论文 chinese journal of chemical physics, 2011, 卷号: 24, 期号: 3, 页码: 305-310 作者:  Li, Guang-yue;  Song, Ping;  He, Guo-zhong 收藏  |  浏览/下载：9/0  |  提交时间：2012/07/09 Sensor  Fluorescence  Cyanide  Sensing mechanism  Time-dependent density functional theory  Michael addition reaction   A TD-DFT Study on the Cyanide-Chemosensing Mechanism of 8-Formyl-7-hydroxycoumarin 期刊论文 journal of computational chemistry, 2011, 卷号: 32, 期号: 4, 页码: 668-674 作者:  Li, Guang-Yue;  Zhao, Guang-Jiu;  Han, Ke-Li;  He, Guo-Zhong 收藏  |  浏览/下载：16/0  |  提交时间：2012/07/09 fluorescent chemosensor  cyanide  time-dependent density functional theory  hydrogen bond  proton transfer  excited-state proton transfer