机构

• 大连化学物理研究所 [17]
• 福建物质结构研究所 [1]
• 化学研究所 [1]
• 中国科学院大学 [1]
• 新疆天文台 [1]

采集方式

• OAI收割 [18]
• iSwitch采集 [3]

内容类型

• 期刊论文 [21]

发表日期

• 2025 [1]
• 2019 [5]
• 2018 [5]
• 2017 [1]
• 2016 [2]
• 2015 [2]
• 更多

学科主题

筛选

浏览/检索结果: 共21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发表日期升序发表日期降序提交时间升序提交时间降序作者升序作者降序 Tactfully regulating the ESIPT mechanism of novel benzazolyl-4-quinolones fluorophore by atomic electronegativity 期刊论文  OAI收割 CHEMICAL PHYSICS, 2025, 卷号: 590, 页码: 112545 作者:  Zhang, Qingqing;  Li, Shun;  Yuan, Saifei;  Qiu, Xiaole;  Yang, Chuan-Lu   |  收藏  |  浏览/下载：2/0  |  提交时间：2025/02/25 Atomic electronegativity  Excited state intramolecular proton transfer  Hydrogen bond  Potential energy curve  Energy barrier   A theoretical exploration and regulating about the excited state process for 2-(4-(diphenylamino)phenyl)-3-hydroxy-4H-chromen-4-one system 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 8 作者:  Wang, Yusheng;  Zhang, Qiaoli;  Xu, Kai;  Jiang, Weifen;  Yang, Dapeng   |  收藏  |  浏览/下载：220/0  |  提交时间：2019/12/02 charge transfer  ESIPT  intramolecular hydrogen bond  solvent polarity   A theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor 期刊论文  OAI收割 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 49-55 作者:  Song, Xiaoyan;  Zhang, Qiaoli;  Lv, Jian;  Yang, Guang;  Jia, Min   |  收藏  |  浏览/下载：95/0  |  提交时间：2019/06/20 charge transfer  ESIPT  intramolecular hydrogen bond  potential energy curves   A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore 期刊论文  OAI收割 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 56-61 作者:  Yang, Dapeng;  Gao, Haiyan;  Yang, Guang   |  收藏  |  浏览/下载：58/0  |  提交时间：2019/06/20 frontier molecular orbital  infrared spectra  intramolecular hydrogen bond  potential energy curves  proton transfer   A theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor 期刊论文  iSwitch采集 Journal of the chinese chemical society, 2019, 卷号: 66, 期号: 1, 页码: 49-55 作者:  Lv, Jian;  Yang, Guang;  Jia, Min;  Zhao, Jinfeng;  Song, Xiaoyan 收藏  |  浏览/下载：93/0  |  提交时间：2019/05/08 Charge transfer  Esipt  Intramolecular hydrogen bond  Potential energy curves   A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore 期刊论文  iSwitch采集 Journal of the chinese chemical society, 2019, 卷号: 66, 期号: 1, 页码: 56-61 作者:  Gao, Haiyan;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli 收藏  |  浏览/下载：54/0  |  提交时间：2019/05/08 Frontier molecular orbital  Infrared spectra  Intramolecular hydrogen bond  Potential energy curves  Proton transfer   Exploring and elaborating the excited state mechanism of a novel AIE material 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole 期刊论文  OAI收割 STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1767-1773 作者:  Zhang, Qiaoli;  Zhao, Jinfeng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan   |  收藏  |  浏览/下载：161/0  |  提交时间：2019/06/20 Intramolecular hydrogen bond  Frontier molecular orbital  Charge density difference  Excited state proton transfer  Transition state   Insight into the new excited-state intramolecular proton transfer (ESIPT) mechanism of N,N '-bis(salicylidene)-p-phenylenediamine (p-BSP) 期刊论文  OAI收割 CHEMICAL PHYSICS, 2018, 卷号: 501, 页码: 53-59 作者:  Hao, Jiaojiao;  Yang, Yang   |  收藏  |  浏览/下载：25/0  |  提交时间：2019/06/20 Esipt  Tddft  Intramolecular Hydrogen Bond  Potential Energy Surfaces  Proton Transfer Mechanism   Theoretical investigation of twisted charge-transfer-promoted intramolecular proton transfer in the excited state of 4 '-dimethylaminoflavonol in a highly polar solvent 期刊论文  OAI收割 JOURNAL OF LUMINESCENCE, 2018, 卷号: 194, 页码: 785-790 作者:  Wang, Yi;  Fei, Xu;  Tang, Zhe;  Yang, Yunfan;  Yang, Yi   |  收藏  |  浏览/下载：27/0  |  提交时间：2019/06/20 Excited-state Intramolecular Proton Transfer  Hydrogen Bond  Twisted Intramolecular Charge Transfer  Reduced Density Gradient  Potential-energy Curve   A theoretical investigation on excited-state single or double proton transfer process for aloesaponarin I 期刊论文  OAI收割 CANADIAN JOURNAL OF CHEMISTRY, 2018, 卷号: 96, 期号: 1, 页码: 83-88 作者:  Wei, Qiang;  Wang, Jiyu;  Zhao, Meiyu;  Zhang, Meixia;  Song, Yuzhi   |  收藏  |  浏览/下载：77/0  |  提交时间：2019/06/20 Proton Transfer  Intramolecular Hydrogen Bond  Pes  Frontier Molecular Orbital