机构

• 大连化学物理研究所 [21]
• 化学研究所 [7]
• 近代物理研究所 [5]
• 金属研究所 [1]
• 福建物质结构研究所 [1]
• 上海药物研究所 [1]
• 更多

采集方式

• OAI收割 [37]
• iSwitch采集 [2]

内容类型

• 期刊论文 [36]
• 会议论文 [2]
• 学位论文 [1]

发表日期

• 2018 [2]
• 2017 [1]
• 2016 [2]
• 2015 [2]
• 2014 [3]
• 2013 [7]
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学科主题

• 物理化学 [5]
• 原子与分子物理 [1]

筛选

浏览/检索结果: 共39条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid 期刊论文  OAI收割 JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 282-289 作者:  Yang, Yanqiang;  Ma, Yinhua;  Zhao, Jinfeng;  Liu, Jianyong;  Chu, Tianshu   |  收藏  |  浏览/下载：132/0  |  提交时间：2019/06/20 Binding model  Time-dependent density functional theory  Weak interactions  TNP sensing  Photoinduced electron transfer  Binding energy   A binding model study on tnp fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid 期刊论文  iSwitch采集 Journal of photochemistry and photobiology a-chemistry, 2018, 卷号: 367, 页码: 282-289 作者:  Ma, Yinhua;  Zhao, Jinfeng;  Liu, Jianyong;  Yang, Yanqiang;  Chu, Tianshu 收藏  |  浏览/下载：144/0  |  提交时间：2019/05/08 Binding model  Time-dependent density functional theory  Weak interactions  Tnp sensing  Photoinduced electron transfer  Binding energy   Insight into the excited-state intramolecular double-proton transfer of the 2,5-bis(benzoxazol-2-yl)thiophene-3,4-diol: one-step or stepwise mechanism? 期刊论文  OAI收割 THEORETICAL CHEMISTRY ACCOUNTS, 2017, 卷号: 136, 期号: 5 作者:  Yang, Yunfan;  Lu, Meiheng;  Chu, Tianshu 收藏  |  浏览/下载：16/0  |  提交时间：2017/10/29 Excited-state intramolecular double-proton transfer  Time-dependent density functional theory  Stepwise mechanism  Hydrogen bond strengthening   Excited-state proton transfer of 4-hydroxyl-1, 8-naphthalimide derivatives: A combined experimental and theoretical investigation 期刊论文  OAI收割 JOURNAL OF LUMINESCENCE, 2016, 卷号: 177, 页码: 197-203 作者:  Qu, Zongjin;  Li, Peng;  Zhang, Xuexiang;  Wang, Endong;  Wang, Yanni   |  收藏  |  浏览/下载：45/0  |  提交时间：2019/06/20 Naphthalimide  Excited-state Proton Transfer  Photoacid  Contact Ion Pair  Time-dependent Density Functional Theory   Excited-state hydrogen bond strengthening of coumarin 153 in ethanol solvent: a TDDFT study 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2016, 卷号: 29, 期号: 6, 页码: 305-311 作者:  Xu, Jinmei;  Chen, Junsheng;  Dong, Shunle;  Fu, Aiping;  Li, Hongliang   |  收藏  |  浏览/下载：35/0  |  提交时间：2019/06/20 Coumarin C153  Ethanol Solvent  Excited State  Hydrogen Bond  Time-dependent Density Functional Theory   TDDFT study on the excited-state proton transfer of 8-hydroxyquinoline: Key role of the excited-state hydrogen-bond strengthening 期刊论文  OAI收割 spectrochimica acta part a-molecular and biomolecular spectroscopy, 2015, 卷号: 139, 页码: 49-53 作者:  Lan, Sheng-Cheng;  Liu, Yu-Hui 收藏  |  浏览/下载：25/0  |  提交时间：2015/11/17 Hydrogen bond  Time-dependent density functional theory  Excited-state intramolecular proton transfer  Internal conversion   Time-dependent density functional theory electronic circular dichroism (TDDFT ECD)calculation as a promising tool to determine the absolute configuration of natural products 期刊论文  OAI收割 Journal of International Pharmaceutical Research, 2015, 卷号: 42, 期号: 6, 页码: 686-698 作者:  Huang Renyong;  Liang Linfu;  Guo Yuewei   |  收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08 natural products  absolute configuration  time-dependent density functional theory electronic circular dichroism   A DFT/TD-DFT study of thiazolidinedione derivative in dimethylformamide: Cooperative roles of hydrogen bondings, electronic and vibrational spectra 期刊论文  OAI收割 spectrochimica acta part a-molecular and biomolecular spectroscopy, 2014, 卷号: 125, 页码: 131-137 作者:  Wang, Dandan;  Lu, Rui;  Yuan, Minghu;  Fu, Aiping;  Chu, Tianshu 收藏  |  浏览/下载：17/0  |  提交时间：2015/11/13 The time-dependent density functional theory  Hydrogen bonding dynamics  Hydrogen-bonding strengthening and weakening  Excited state  Spectral shift  Photoexcitation   Intermolecular hydrogen bond and twisted intramolecular charge transfer in excited state of fast violet B (FVB) in methanol solution 期刊论文  OAI收割 spectrochimica acta part a-molecular and biomolecular spectroscopy, 2014, 卷号: 125, 页码: 67-72 作者:  Chai, Shuo;  Cong, Shu-Lin 收藏  |  浏览/下载：18/0  |  提交时间：2015/11/17 Twisted intramolecular charge transfer  Intermolecular hydrogen bond  Excited state dynamics  Time-dependent density functional theory   Excited state intramolecular proton transfer and substituent effect of 10-hydroxybenzo[h]quinoline: A time-dependent density functional theory study 期刊论文  OAI收割 computational and theoretical chemistry, 2014, 卷号: 1034, 页码: 80-84 作者:  Chai, Shuo;  Cong, Shu-Lin 收藏  |  浏览/下载：25/0  |  提交时间：2015/11/17 Excited state intramolecular proton transfer  Hydrogen bond  Substituent effect  Time-dependent density functional theory