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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 time-dependent density functional theory study on the excited state behavior of a novel T-2(OH)B molecule 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
Authors:  Jia, Min;  Song, Xiaoyan;  Yang, Xiaohui;  Yang, Dapeng
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charge distribution  ESIPT  intramolecular hydrogen bond  potential energy curve  
Characterization of tunnel oxide passivated contact with n-type poly-Si on p-type c-Si wafer substrate 期刊论文
CURRENT APPLIED PHYSICS, 2019, 卷号: 19, 期号: 7, 页码: 811-816
Authors:  Guo, Xueqi;  Zeng, Yuheng;  Zhang, Zhi;  Huang, Yuqing;  Liao, Mingdun;  Yang, Qing;  Wang, Zhixue;  Du, Minyong;  Guan, Denggao;  Yan, Baojie;  Ye, Jichun
Favorite  |  View/Download:7/0  |  Submit date:2019/06/25
Solar cell  C-V measurement  Built-in potential  poly-Si  TOPCon  p-n junction  
Mechanism of Excited State Double Proton Transfer in 2-Amino-3-Methoxypyridine and Acetic Acid Complex 期刊论文
CHINESE PHYSICS LETTERS, 2018, 卷号: 35, 期号: 9, 页码: 3
Authors:  Meng, Qing-Chi;  Yang, Song-Qiu;  Ren, Guang-Hua;  Chu, Tian-Shu
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Photofragment Translational Spectroscopy of CF3I at 238 nm: Vibrational Distribution of CF3 Fragments and Curve Crossing Probability 期刊论文
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2018, 卷号: 39, 期号: 8, 页码: 1713-1720
Authors:  Lin Dan;  Cheng Min;  Du Yikui;  Zhu Qihe
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Photodissociation  Trifluoromethyl iodide  Photofragment translational spectroscopy  Vibrational state excitation  Potential curve crossing probability  
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
JOURNAL OF LUMINESCENCE, 2018, 卷号: 194, 页码: 785-790
Authors:  Tang, Zhe;  Yang, Yunfan;  Yang, Yi;  Wang, Yi;  Tian, Jing;  Fei, Xu
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Excited-state Intramolecular Proton Transfer  Hydrogen Bond  Twisted Intramolecular Charge Transfer  Reduced Density Gradient  Potential-energy Curve  
A DFT/TDDFT Investigation of Excited State Dynamical Mechanism of (E)-1-((2,2-Diphenylhydrazono)methyl)naphthalen-2-ol 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2017, 卷号: 64, 期号: 12, 页码: 1385-1391
Authors:  Yang, Dapeng;  Wu, Jingyuan;  Jia, Min;  Song, Xiaoyan
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Electronic Spectra  Frontier Molecular Orbitals  Excited-state Intramolecular Proton Transfer  Potential Energy Surface  
Theoretical investigation on ESIPT mechanism for a novel Sal-3,4-benzophen system 期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2017, 卷号: 16, 期号: 8
Authors:  Lv, Jian;  Yang, Dapeng
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Hydrogen Bond  Esipt  Electronic Spectra  Potential Energy Curve  
A DFT/TDDFT Study on Excited State Process of a Novel Probe 4'-Fluoroflavonol 期刊论文
JOURNAL OF CLUSTER SCIENCE, 2017, 卷号: 28, 期号: 5, 页码: 2449-2460
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng
Favorite  |  View/Download:20/0  |  Submit date:2017/12/20
Tddft  Esipt  Absorption And Fluorescence Spectra  Potential Energy Curve  
A DFT/TDDFT Study on Excited State Process of a Novel Probe 4'-Fluoroflavonol 期刊论文
JOURNAL OF CLUSTER SCIENCE, 2017, 卷号: 28, 期号: 5, 页码: 2449-2460
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng
Favorite  |  View/Download:17/0  |  Submit date:2017/12/20
Tddft  Esipt  Absorption And Fluorescence Spectra  Potential Energy Curve