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Discovery of novel antagonists on (2)-adrenoceptor from natural products using a label-free cell phenotypic assay 期刊论文
NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY, 2018, 卷号: 391, 期号: 12, 页码: 1411-1420
Authors:  Zhang, Pengyu;  Wang, Jixia;  Zhao, Ying;  Zhang, Xiuli;  Qu, Lala;  Wang, Chaoran;  Feng, Jiatao;  Wang, Anhui;  Zhou, Weijia;  Liu, Yanfang;  Hou, Tao;  Zhou, Han;  Wang, Zhiwei;  Liang, Xinmiao
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beta(2)-Adrenoceptor  Antagonist  Natural product  Label-free cell phenotypic assay  
Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds 期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823
Authors:  Wang, Yusheng;  Yang, Guang;  Zhang, Qiaoli;  Song, Xiaoyan;  Yang, Dapeng
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Hydrogen bond  Charge density difference  ESIPT  Potential energy curves  
Exploring and elaborating the excited state mechanism of a novel AIE material 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole 期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1767-1773
Authors:  Zhang, Qiaoli;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhao, Jinfeng
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Intramolecular hydrogen bond  Frontier molecular orbital  Charge density difference  Excited state proton transfer  Transition state  
Solvation effect on the ESIPT mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1H-imidazo- [4,5-c]pyridine 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 261-269
Authors:  Tang, Zhe;  Lu, Meiheng;  Liu, Kangjing;  Zhao, Yanliang;  Qi, Yutai;  Wang, Yi;  Zhang, Peng;  Zhou, Panwang
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ESIPT  Molecular electrostatic potential surface  Frontier molecular orbitals  Potential-energy curves  
Nonadiabatic dynamics simulation of photoisomerization mechanism of photoswitch azodicarboxamide: Hydrogen bonding effects 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 236-239
Authors:  Liu, Yan;  Luo, Jian
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Azobenzenes  Trans-cis  Light-driven  Advanced material  Surface hopping  
Deuterium Kinetic Isotope Effect in the Photocatalyzed Dissociation of Methanol on TiO2(110) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 46, 页码: 26512-26518
Authors:  Wang, Tianjun;  Hao, Qunqing;  Wang, Zhiqiang;  Mao, Xinchun;  Ma, Zhibo;  Ren, Zefeng;  Dai, Dongxu;  Zhou, Chuanyao;  Yang, Xueming
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Theoretical insights into the ESIPT process for pi-conjugated benzimidazole compounds 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 11, 页码: 7
Authors:  Wang, Yusheng;  Yang, Guang;  Yang, Dapeng
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electronic spectra  frontier molecular orbital  potential energy curves  TDDFT  
Chemo-selective couplings of anilines and acroleins/enones under substrate control and condition control 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2018, 卷号: 39, 期号: 11, 页码: 1782-1791
Authors:  Zhou, Xukai;  Sun, Jiaqiong;  Li, Xingwei
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Rh(III)-catalysis  Chemo-selectivity  Annulation  Substrate control  Condition control  
Theoretical insights into the excited state intramolecular proton transfer mechanism for a novel 4-methoxy-3-hydroxyflavone system 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2018, 卷号: 65, 期号: 11, 页码: 1326-1332
Authors:  Wang, Yusheng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
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charge redistribution  ESIPT  hydrogen bond  transition state  
A detailed DFT/TDDFT study on excited-state intramolecular hydrogen bonding dynamics and proton-transfer mechanism of 2-phenanthro[9,10-d]oxazol-2-yl-phenol 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 10, 页码: 8
Authors:  Zhang, Tianjie;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng
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ESIPT  frontier molecular orbitals  infrared spectra  intramolecular hydrogen bond