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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:7/0  |  Submit date:2019/06/25
Theoretical elaboration about the excited state dynamical behaviors for a novel fluorescent sensor 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 5, 页码: 7
Authors:  Zhang, Tianjie;  Zhang, Qiaoli;  Lu, Xuemei;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
charge redistribution  ESIPT  intramolecular hydrogen bond  potential energy curves  
The theoretical study about the ESIPT mechanism for 2,4-bis(benzooxazol-2 '-yl)hydroquinone: Single or double? 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
Authors:  Hao, Jiaojiao;  Yang, Yang
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
double  ESIPT mechanism  intramolecular hydrogen bond  single  TDDFT  
Coherent interference of molecular electronic states in NO by two-color femtosecond laser pulses 期刊论文
PHYSICAL REVIEW A, 2019, 卷号: 99, 期号: 1, 页码: 6
Authors:  Hu, Wenhui;  Liu, Yong;  Luo, Sizuo;  Li, Xing;  Yu, Jiaqi;  Li, Xiaokai;  Sun, Zhigang;  Yuan, Kai-Jun;  Bandrauk, Andre D.;  Ding, Dajun
Favorite  |  View/Download:9/0  |  Submit date:2019/06/20
The Sommerfeld ground-wave limit for a molecule adsorbed at a surface 期刊论文
SCIENCE, 2019, 卷号: 363, 期号: 6423, 页码: 158-+
Authors:  Chen, Li;  Lau, Jascha A.;  Schwarzer, Dirk;  Meyer, Jorg;  Verma, Varun B.;  Wodtke, Alec M.
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A theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 49-55
Authors:  Lv, Jian;  Yang, Guang;  Jia, Min;  Zhao, Jinfeng;  Song, Xiaoyan;  Zhang, Qiaoli
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
charge transfer  ESIPT  intramolecular hydrogen bond  potential energy curves  
Quantum wavepacket method for state-to-state reactive cross sections in hyperspherical coordinates 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 17, 页码: 16
Authors:  Zhao, Hailin;  Hu, Xixi;  Xie, Daiqian;  Sun, Zhigang
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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  
Vacuum ultraviolet photodissociation dynamics of N2O via the C-1 Pi state: The N(D-2(j=)5/2, (3/2)) + NO(X-2 Pi) product channels 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 10, 页码: 7
Authors:  Yu, Shengrui;  Yuan, Daofu;  Chen, Wentao;  Xie, Ting;  Zhou, Jiami;  Wang, Tao;  Chen, Zhichao;  Yuan, Kaijun;  Yang, Xueming;  Wang, Xingan
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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
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Photodissociation  Trifluoromethyl iodide  Photofragment translational spectroscopy  Vibrational state excitation  Potential curve crossing probability