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浏览/检索结果: 共20条，第1-10条 帮助 限定条件 发表日期：2017    专题：大连化学物理研究所    第一署名单位    第一作者单位    通讯作者单位     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 A DFT/TDDFT Investigation of Excited State Dynamical Mechanism of (E)-1-((2,2-Diphenylhydrazono)methyl)naphthalen-2-ol 期刊论文 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2017, 卷号: 64, 期号: 12, 页码: 1385-1391 作者:  Yang, Dapeng;  Wu, Jingyuan;  Jia, Min;  Song, Xiaoyan 收藏  |  浏览/下载：16/0  |  提交时间：2019/06/20 Electronic Spectra  Frontier Molecular Orbitals  Excited-state Intramolecular Proton Transfer  Potential Energy Surface   A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11 作者:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng 收藏  |  浏览/下载：30/0  |  提交时间：2017/12/20 AIM  ESIPT  IR vibrational spectra  MOs  potential energy curves   A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11 作者:  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Yang, Dapeng 收藏  |  浏览/下载：16/0  |  提交时间：2017/12/20 AIM  ESIPT  IR vibrational spectra  MOs  potential energy curves   Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field 期刊论文 CHEMICAL PHYSICS LETTERS, 2017, 卷号: 686, 页码: 173-177 作者:  Zhou, Min;  Hu, Ying;  Liu, Jian-chuan;  Cheng, Ke;  Jia, Guo-zhu 收藏  |  浏览/下载：14/0  |  提交时间：2017/12/20 Molecular dynamics  Carbon nanotubes  Diffusivity  Hydrogen bonding   Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field 期刊论文 CHEMICAL PHYSICS LETTERS, 2017, 卷号: 686, 页码: 173-177 作者:  Hu, Ying;  Zhou, Min;  Liu, Jian-chuan;  Cheng, Ke;  Jia, Guo-zhu 收藏  |  浏览/下载：15/0  |  提交时间：2017/12/20 Molecular dynamics  Carbon nanotubes  Diffusivity  Hydrogen bonding   Hydrogen bond based smart polymer for highly selective and tunable capture of multiply phosphorylated peptides 期刊论文 NATURE COMMUNICATIONS, 2017, 卷号: 8 作者:  Qing, Guangyan;  Lu, Qi;  Li, Xiuling;  Liu, Jing;  Ye, Mingliang 收藏  |  浏览/下载：25/0  |  提交时间：2017/12/19 Hydrogen bond based smart polymer for highly selective and tunable capture of multiply phosphorylated peptides 期刊论文 NATURE COMMUNICATIONS, 2017, 卷号: 8 作者:  Qing, Guangyan;  Lu, Qi;  Li, Xiuling;  Sun, Taolei;  Liu, Jing 收藏  |  浏览/下载：23/0  |  提交时间：2017/12/19 A theoretical study about excited state behaviour for imide compound N-cyclohexyl-3-hydroxyphthalimide and 3,6-dihydroxy-N-cyclohexylphthalimide 期刊论文 JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 241, 页码: 1003-1008 作者:  Song, Nahong;  Yang, Dapeng;  Zhao, Jinfeng;  Yang, Guang;  Zheng, Rui 收藏  |  浏览/下载：13/0  |  提交时间：2017/12/19 Hydrogen bond  Frontier molecular orbitals  ESIPT  Potential energy surface   A DFT/TDDFT Study on Excited State Process of a Novel Probe 4'-Fluoroflavonol 期刊论文 JOURNAL OF CLUSTER SCIENCE, 2017, 卷号: 28, 期号: 5, 页码: 2449-2460 作者:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng 收藏  |  浏览/下载：19/0  |  提交时间：2017/12/20 TDDFT  ESIPT  Absorption and fluorescence spectra  Potential energy curve   A theoretical study about excited state behaviour for imide compound N-cyclohexyl-3-hydroxyphthalimide and 3,6-dihydroxy-N-cyclohexylphthalimide 期刊论文 JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 241, 页码: 1003-1008 作者:  Yang, Dapeng;  Zhao, Jinfeng;  Yang, Guang;  Song, Nahong;  Zheng, Rui 收藏  |  浏览/下载：18/0  |  提交时间：2017/12/19 Hydrogen bond  Frontier molecular orbitals  ESIPT  Potential energy surface