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TDDFT study on aluminum and fluoride dual-sensing mechanism of a Schiff-Base sensor 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 44-51
Authors:  Liu, Dong;  Wang, Jie-Ping;  Li, Guang-Yue;  Zhou, Can-Hua
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Sensor  Fluorescence  Excited state  TICT  ESPT  
The excited state hydrogen bond and proton transfer mechanism of a novel dye CS-Azine 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 2, 页码: 8
Authors:  Jia, Min;  Yang, Guang;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng
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charge redistribution  intramolecular hydrogen bond  potential energy curves  
Self-Adaptable Quinone-Quinol Exchange Mechanism of Photosystem II 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 46, 页码: 10478-10489
Authors:  Yao, Mingdong;  Liu, Ying;  Fei, Liping;  Zhou, Ye;  Wang, Fangjun;  Chen, Jun
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A Heterogeneous Metal-Free Catalyst for Hydrogenation: Lewis Acid-Base Pairs Integrated into a Carbon Lattice 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 卷号: 57, 期号: 42, 页码: 13800-13804
Authors:  Ding, Yuxiao;  Huang, Xing;  Yi, Xianfeng;  Qiao, Yunxiang;  Sun, Xiaoyan;  Zheng, Anmin;  Su, Dang Sheng
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heterogeneous catalysis  hydrogenation  Lewis pairs  metal-free catalysis  nanocarbons  
On the solvation of hydronium by carbon dioxide: Structural and infrared spectroscopic study of (H3O+)(CO2)(n) 期刊论文
CHEMICAL PHYSICS, 2018, 卷号: 501, 页码: 1-7
Authors:  Yang, Jianpeng;  Kong, Xiangtao;  Jiang, Ling
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Hydronium  Carbon Dioxide  Solvation  Infrared Photodissociation Spectroscopy  Quantum Chemical Calculation  
Exploring Bronsted acids confined in the 10-ring channels of the zeolite ferrierite 期刊论文
CRYSTENGCOMM, 2018, 卷号: 20, 期号: 6, 页码: 699-702
Authors:  Wang, Lei;  Xu, Hongyi;  Yan, Nana;  Correll, Sascha;  Xu, Shutao;  Guo, Peng;  Tian, Peng;  Liu, Zhongmin
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Exploring excited-state proton transfer mechanism for 9,10-dihydroxybenzo[h]quinolone 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 2
Authors:  Yang, Dapeng;  Wu, Jingyuan;  Dong, Hao;  Jia, Min;  Song, Xiaoyan
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Frontier Molecular Orbital  Potential Energy Curves  Proton Transfer  
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Lv, Jian
Favorite  |  View/Download:49/0  |  Submit date:2017/12/20
Aim  Esipt  Ir Vibrational Spectra  Mos  Potential Energy Curves  
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Lv, Jian
Favorite  |  View/Download:23/0  |  Submit date:2017/12/20
Aim  Esipt  Ir Vibrational Spectra  Mos  Potential Energy Curves  
A Waugh type [CoMo9O32](6-) cluster with atomically dispersed Co-IV originates from Anderson type [CoMo6O24](3-) for photocatalytic oxygen molecule activation 期刊论文
NANOSCALE, 2017, 卷号: 9, 期号: 40, 页码: 15332-15339
Authors:  Chen, Yongdong;  Zhang, Chaolei;  Yang, Caoping;  Zhang, Jiangwei;  Zheng, Kai;  Fang, Qihua;  Li, Gao
Favorite  |  View/Download:39/0  |  Submit date:2017/12/19