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A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 17, 页码: 3136-3143
Authors:  Qi, Yutai;  Lu, Meiheng;  Wang, Yi;  Tang, Zhe;  Gao, Ziqing;  Tian, Jing;  Fei, Xu;  Li, Yao;  Liu, Jianyong
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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
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 8
Authors:  Wang, Yusheng;  Zhang, Qiaoli;  Xu, Kai;  Jiang, Weifen;  Yang, Dapeng
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charge transfer  ESIPT  intramolecular hydrogen bond  solvent polarity  
Effect of solvent environment on excited state intramolecular proton transfer in 2-(4-(dimethylamino)phenyl)-3-hydroxy-6,7-dimethoxy-4h-chromen-4-one 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 32, 页码: 17711-17719
Authors:  Chen, Yunpeng;  Yang, Yunfan;  Zhao, Yu;  Liu, Shixing;  Li, Yongqing
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Investigation of the intramolecular hydrogen bonding interactions and excited state proton transfer mechanism for both Br-BTN and CN-BTN systems 期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 40, 页码: 23004-23011
Authors:  Yang, Dapeng;  Zhang, Qiaoli;  Song, Xiaoyan;  Zhang, Tianjie
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Theoretical insights into excited-state process for the novel 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)amino]but-2-enedinitrile system 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
Authors:  Xu, Lei;  Zhang, Tianjie;  Yang, Dapeng;  Zhang, Qiaoli
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charge redistribution  ESDPT  intramolecular hydrogen bonds  IR vibrational spectra  potential energy curves  
Adsorption Structure and Coverage-Dependent Orientation Analysis of Sub-Monolayer Acetonitrile on TiO2(110) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 29, 页码: 17915-17924
Authors:  Zhang, Ruidan;  Dong, Jichao;  Luo, Ting;  Tang, Fujie;  Peng, Xingxing;  Zhou, Chuanyao;  Yang, Xueming;  Xu, Limei;  Ren, Zefeng
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A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7
Authors:  Yang, Dapeng;  Song, Xiaoyan;  Zhang, Tianjie;  Gao, Haiyan
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charge density difference  dual hydrogen bonds  electronic densities  infrared vibrational spectra  potential energy surfaces  
Surface processes occurring during aqueous phase ethanol reforming on Ru/TiO2 tracked by ATR-IR spectroscopy 期刊论文
APPLIED CATALYSIS A-GENERAL, 2019, 卷号: 581, 页码: 111-115
Authors:  Waheed, Ammara;  Wang, Xianwei;  Maeda, Nobutaka;  Naito, Shuichi;  Baiker, Alfons
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Aqueous phase reforming  Ethanol  Hydrogen production  Ru/TiO2  Solid-liquid interface  In situ ATR-IR spectroscopy  
Structures, energetics, and infrared spectra of the cationic monomethylamine clusters 期刊论文
CHEMICAL PHYSICS, 2019, 卷号: 523, 页码: 7-11
Authors:  Jiang, Shuai;  Zhang, Xiaoli;  Zheng, Xiucheng;  Kong, Xiangtao
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Monomethylamine  Structure  Energetics  Infrared photodissociation  Spectroscopy  Quantum chemical calculation  
Electrospray ionization photoelectron spectroscopy of cryogenic [EDTA center dot M(ii)](2-) complexes (M = Ca, V-Zn): electronic structures and intrinsic redox properties 期刊论文
FARADAY DISCUSSIONS, 2019, 卷号: 217, 页码: 383-395
Authors:  Yuan, Qinqin;  Kong, Xiang-Tao;  Hou, Gao-Lei;  Jiang, Ling;  Wang, Xue-Bin
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