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On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 186, 页码: 52-58
Authors:  Zhao, Li;  Liu, Jian-Yong;  Zhou, Pan-Wang
Favorite  |  View/Download:35/0  |  Submit date:2017/12/20
Nonadiabatic  Fluorescent Proteins  Excited State  Dynamics Simulation  
On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 186, 页码: 52-58
Authors:  Zhao, Li;  Liu, Jian-Yong;  Zhou, Pan-Wang
Favorite  |  View/Download:33/0  |  Submit date:2017/12/20
Nonadiabatic  Fluorescent Proteins  Excited State  Dynamics Simulation  
The theoretical study of excited-state intramolecular proton transfer of 2,5-bis(benzoxazol-2-yl)thiophene-3,4-diol 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 183, 页码: 37-44
Authors:  Lan, Rui-Fang;  Yang, Yun-Fan;  Ma, Yan-Zhen;  Li, Yong-Qing
Favorite  |  View/Download:30/0  |  Submit date:2017/10/29
TDDFT study on recognition mechanism for the oxygen sensing of the cyclometalated platinum (II) complex 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 183, 页码: 371-377
Authors:  Tong Huan;  Zhao Zhengyan;  Li Guanglan;  Gao Liguo;  Zhao Ningjiu;  Li Peng;  Jia Yan;  Zhou Chenyang;  Zhang Mingzhen;  Wang Yong;  Hao Ce;  Tang Xiaoying
Favorite  |  View/Download:36/0  |  Submit date:2017/10/29
Recognition Mechanism  Sensor  Charge Transfer  Excited State  H-bond  
Ionization spectroscopies and theoretical calculations of cis and trans 3-fluoro-N-methylaniline-Ar-n(n=1,2) van der Waals clusters: Structures and binding energies 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 183, 页码: 177-186
Authors:  Zhang, Lijuan;  Li, Dazhi;  Cheng, Min;  Du, Yikui;  Zhu, Qihe
Favorite  |  View/Download:30/0  |  Submit date:2017/10/29
3-fluoro-n-methylaniline  Ar Cluster  Rempi  Mati  Binding Energy  Dft-d  
Photoisomerization mechanism of 1,10-dimethyl-2,20-pyridocyanine in the gas phase and in solution 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 136, 期号: 0, 页码: 1157
Authors:  Gao AH(高爱华);  Zhang PY(张佩宇);  meiyu zhao;  Liu JY(刘建勇)
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A DFT/TDDFT investigation of the excited state proton transfer reaction 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 151, 期号: 0, 页码: 368
Authors:  Yang DP(杨大鹏);  Zhao JF(赵金峰);  Rui Zheng;  Yusheng Wang;  Jian Lv
Favorite  |  View/Download:15/0  |  Submit date:2016/11/24
The investigation of excited state proton transfer mechanism in water-bridged 7-azaindole 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 153, 期号: 0, 页码: 147
Authors:  Yongjia Zhang;  Zhao JF(赵金峰);  Li YQ(李永庆)
Favorite  |  View/Download:9/0  |  Submit date:2016/11/24
TDDFT study on the excited-state proton transfer of 8-hydroxyquinoline Key role of the excited-state hydrogen-bond strengthening 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 139, 期号: 0, 页码: 49
Authors:  Lan SC(兰生成);  Yu-Hui Liu
Favorite  |  View/Download:15/0  |  Submit date:2016/11/24
A DFT/TDDFT investigation of the excited state proton transfer reaction of fisetin chromophore 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 151, 页码: 368-374
Authors:  Yang, Dapeng;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Lv, Jian
Favorite  |  View/Download:100/0  |  Submit date:2015/11/17
Hydrogen Bonding  Esipt  Frontier Molecular Orbitals  Electronic Spectra  Potential Energy Curves