中国科学院机构知识库网格系统: 检索

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	Interfacial role of Ionic liquids in CO2 electrocatalytic Reduction: A mechanistic investigation 期刊论文 OAI收割 CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 457, 页码: 10 作者: Guo, Shuai; Liu, Yawei; Wang, Yanlei; Dong, Kun; Zhang, Xiangping \| 收藏 \| 浏览/下载：0/0 \| 提交时间：2023/05/19 Ionic liquids CO(2 )electrocatalytic reduction reaction Density functional theory Transition state Hydrogen bond Molecular dynamics simulations
	Nitrile group as IR probe to detect the structure and hydrogen-bond properties of piperidinium/pyrrolidinium based ionic liquids and acetonitrile mixtures 期刊论文 OAI收割 JOURNAL OF MOLECULAR LIQUIDS, 2021, 卷号: 322, 页码: 9 作者: Zheng, Yan-Zhen; Zhou, Yu; He, Hong-Yan; Guo, Rui; Chen, Da-Fu \| 收藏 \| 浏览/下载：27/0 \| 提交时间：2021/03/29 Ionic liquids Acetonitrile Hydrogen-bond Density functional theory Infrared spectroscopy Excess spectra
	Investigation on the excited state intramolecular proton transfer process for the novel 2-(3,5-dichloro-2-hydroxy-phenyl)-benzooxazole-5-carboxylicacid system 期刊论文 OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 10, 页码: 9 作者: Gao, Haiyan; Yang, Xiaohui; Zhang, Tianjie; Yang, Dapeng \| 收藏 \| 浏览/下载：91/0 \| 提交时间：2019/12/02 charge density differences charge redistribution ESIPT frontier molecular orbital intramolecular hydrogen bond
	Theoretical insights into elaborating and regulating excited state dynamics for the novel 6-cyano-2-(2 '-hydroxyphenyl)imidazo[1,2a]pyridine system in polar and nonpolar solvents 期刊论文 OAI收割 MOLECULAR PHYSICS, 2019, 页码: 9 作者: Xu, Lei; Zhang, Qiaoli; Zhang, Tianjie; Yang, Dapeng \| 收藏 \| 浏览/下载：98/0 \| 提交时间：2019/12/02 Intramolecular hydrogen bond ESIPT charge density difference charge redistribution solvent polarity
	Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4H-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4H-chromen-4-one 期刊论文 OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8 作者: Song, Xiaoyan; Wang, Yusheng; Yang, Guang; Jia, Min; Yang, Dapeng \| 收藏 \| 浏览/下载：49/0 \| 提交时间：2019/06/20 charge density difference charge redistribution ESIPT intramolecular hydrogen bond
	Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4h-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4h-chromen-4-one 期刊论文 iSwitch采集 Journal of physical organic chemistry, 2019, 卷号: 32, 期号: 3, 页码: 8 作者: Wang, Yusheng; Yang, Guang; Jia, Min; Song, Xiaoyan; Zhang, Qiaoli 收藏 \| 浏览/下载：63/0 \| 提交时间：2019/05/08 Charge density difference Charge redistribution Esipt Intramolecular hydrogen bond
	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：159/0 \| 提交时间：2019/06/20 Intramolecular hydrogen bond Frontier molecular orbital Charge density difference Excited state proton transfer Transition state
	Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds 期刊论文 OAI收割 STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823 作者: Wang, Yusheng; Yang, Guang; Zhang, Qiaoli; Song, Xiaoyan; Yang, Dapeng \| 收藏 \| 浏览/下载：26/0 \| 提交时间：2019/06/20 Hydrogen bond Charge density difference ESIPT Potential energy curves
	Theoretical explorations about the excited state behaviors for two novel high efficient esipt compounds 期刊论文 iSwitch采集 Structural chemistry, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823 作者: Wang, Yusheng; Yang, Guang; Zhang, Qiaoli; Song, Xiaoyan; Yang, Dapeng 收藏 \| 浏览/下载：41/0 \| 提交时间：2019/05/08 Hydrogen bond Charge density difference Esipt Potential energy curves