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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
Favorite  |  View/Download:10/0  |  Submit date:2019/12/02
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
Favorite  |  View/Download:9/0  |  Submit date:2019/12/02
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
Favorite  |  View/Download:8/0  |  Submit date:2019/12/02
charge density difference  dual hydrogen bonds  electronic densities  infrared vibrational spectra  potential energy surfaces  
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
Favorite  |  View/Download:11/0  |  Submit date:2019/06/25
Monomethylamine  Structure  Energetics  Infrared photodissociation  Spectroscopy  Quantum chemical calculation  
Dynamic Excited-State Intramolecular Proton Transfer Mechanisms of Two Novel 3-Hydroxyflavone-Based Chromophores in Two Different Surroundings 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3937-3948
Authors:  Hao, Jiaojiao;  Yang, Yang
Favorite  |  View/Download:14/0  |  Submit date:2019/06/25
Structures and Infrared Spectra of [M(CO2)(7)](+) (M = V, Cr, and Mn) Complexes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 17, 页码: 3703-3708
Authors:  Yang, Dong;  Kong, Xiangtao;  Zheng, Huijun;  Su, Mingzhi;  Zhao, Zhi;  Xie, Hua;  Fan, Hongjun;  Zhang, Weiqing;  Jiang, Ling
Favorite  |  View/Download:13/0  |  Submit date:2019/06/20
Theoretical exploration about excited state proton transfer mechanism for a series of phenol-quinoline compounds 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 4, 页码: 371-376
Authors:  Zhang, Tianjie;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
Favorite  |  View/Download:17/0  |  Submit date:2019/06/25
ESIPT  intramolecular hydrogen bond  IR spectra  MOs  potential energy curves