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Theoretical Investigations of Rate Coefficients of H + H2O2 -> OH + H2O on a Full-Dimensional Potential Energy Surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3969-3976
Authors:  Lu, Xiaoxiao;  Wang, Xingan;  Fu, Bina;  Zhang, Donghui
Favorite  |  View/Download:6/0  |  Submit date:2019/06/25
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
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
Sensor  Fluorescence  Excited state  TICT  ESPT  
Role of Oxygen Vacancies on Oxygen Evolution Reaction Activity: beta-Ga2O3 as a Case Study 期刊论文
CHEMISTRY OF MATERIALS, 2018, 卷号: 30, 期号: 21, 页码: 7714-7726
Authors:  Liu, Taifeng;  Feng, Zhaochi;  Li, Qiuye;  Yang, Jianjun;  Li, Can;  Dupuis, Michel
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Elaborating the excited state behavior of 2-(4-N,N-dimethylaminophenyl)-imidazo[4,5-c]pyridine coupling with methanol solvent 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 3
Authors:  Yang, Dapeng;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli
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Electronic Spectra  Hydrogen Bond  Ir Spectra  Potential Energy Curves  
Selective Production of Renewable para-Xylene by Tungsten Carbide Catalyzed Atom-Economic Cascade Reactions 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 卷号: 57, 期号: 7, 页码: 1808-1812
Authors:  Dai, Tao;  Li, Changzhi;  Li, Lin;  Zhao, Zongbao Kent;  Zhang, Bo;  Cong, Yu;  Wang, Aiqin
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Biomass Conversion  Hydrodeoxygenation  Olefin Metathesis  Tungsten Carbide  Xylene  
Theoretical Investigation of the Reaction Mechanism of Photodeamination Induced by Excited-State Intramolecular Proton Transfer of Cresol Derivatives 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 4, 页码: 1011-1018
Authors:  Yang, Yunfan;  Ma, Yanzhen;  Zhao, Yu;  Zhao, Yanliang;  Li, Yongqing
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Reaction mechanisms of 3-amino-4-nitro-furoxan formation by 3-amide-4-nitro-furoxan and sodium hypochlorite in water and benzene solvents 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2018, 卷号: 1125, 页码: 69-76
Authors:  Peng, Yajing;  Sun, Shuang;  Ye, Yuqing;  Liu, Jianyong
Favorite  |  View/Download:6/0  |  Submit date:2019/06/20
Dehydration  Chlorination  Furoxan  Hydrolysis  Formation Mechanism  
A TDDFT study on the excited-state double proton transfer reaction of 8-hydroxyquinoline along a hydrogen-bonded bridge 期刊论文
NEW JOURNAL OF CHEMISTRY, 2017, 卷号: 41, 期号: 16, 页码: 8437-8442
Authors:  Liu, Yu-Hui;  Wang, Shi-Ming;  Zhu, Chaoyuan;  Lin, Sheng Hsien
Favorite  |  View/Download:20/0  |  Submit date:2017/12/19
A TDDFT study on the excited-state double proton transfer reaction of 8-hydroxyquinoline along a hydrogen-bonded bridge 期刊论文
NEW JOURNAL OF CHEMISTRY, 2017, 卷号: 41, 期号: 16, 页码: 8437-8442
Authors:  Liu, Yu-Hui;  Wang, Shi-Ming;  Zhu, Chaoyuan;  Lin, Sheng Hsien
Favorite  |  View/Download:15/0  |  Submit date:2017/12/19
Mechanism of Excited-State Intramolecular Proton Transfer for 1,2-Dihydroxyanthraquinone: Effect of Water on the ESIPT 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 30, 页码: 5625-5634
Authors:  Peng, Yajing;  Ye, Yuqing;  Xiu, Xianming;  Sunt, Shuang
Favorite  |  View/Download:11/0  |  Submit date:2017/12/19