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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
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Isotope effect and Coriolis coupling effect for the Li plus H(D)Cl -> LiCl H(D) reaction 期刊论文
CHINESE PHYSICS B, 2019, 卷号: 28, 期号: 5, 页码: 5
Authors:  Zhai, Hongsheng;  Liang, Guanglei;  Ding, Junxia;  Liu, Yufang
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isotope effect  Coriolis coupling  rate constant  quantum wave packet  
Dynamics studies of O+ + H-2 -> OH+ + H reaction 期刊论文
ACTA PHYSICA SINICA, 2019, 卷号: 68, 期号: 8, 页码: 7
Authors:  Yuan Mei-Ling;  Li Wen-Tao
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
OH2+ system  reaction probability  integral cross section  differential cross section  
An ab initio-based global potential energy surface for the SH3 system and full-dimensional state-to-state quantum dynamics study for the H-2 + HS -> H2S + H reaction 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 卷号: 40, 期号: 10, 页码: 1151-1160
Authors:  Xu, Xin;  Chen, Jun;  Liu, Shu;  Zhang, Dong H.
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
potential energy surface  differential cross sections  H-2 + SH  quantum dynamics  time-dependent wave packet  
Long Cycle Life Lithium Metal Batteries Enabled with Upright Lithium Anode 期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2019, 卷号: 29, 期号: 15, 页码: 9
Authors:  Chen, Yuqing;  Yue, Meng;  Liu, Cuilian;  Zhang, Hongzhang;  Yu, Ying;  Li, Xianfeng;  Zhang, Huamin
Favorite  |  View/Download:15/0  |  Submit date:2019/06/25
glass fibers  high surface area  lithium metal batteries  long cycle life  upright lithium anodes  
Crystallographic-Orientation-Dependent Charge Separation of BiVO4 for Solar Water Oxidation 期刊论文
ACS ENERGY LETTERS, 2019, 卷号: 4, 期号: 4, 页码: 825-831
Authors:  Li, Deng;  Liu, Yong;  Shi, Wenwen;  Shao, Chenyi;  Wang, Shengyang;  Ding, Chunmei;  Liu, Taifeng;  Fan, Fengtao;  Shi, Jingying;  Li, Can
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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
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Sensor  Fluorescence  Excited state  TICT  ESPT  
Tuning the electrocatalytic properties of a Cu electrode with organic additives containing amine group for CO2 reduction 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2019, 卷号: 7, 期号: 10, 页码: 5453-5462
Authors:  Qiu, Yanling;  Zhong, Hexiang;  Xu, Wenbin;  Zhang, Taotao;  Li, Xianfeng;  Zhang, Huamin
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Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164
Authors:  Yang, Dapeng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Zhang, Tianjie
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Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface  
Rate determining step in SDC-SSAF dual-phase oxygen permeation membrane 期刊论文
JOURNAL OF MEMBRANE SCIENCE, 2019, 卷号: 573, 页码: 628-638
Authors:  Li, Claudia;  Li, Wenping;  Chew, Jiuan Jing;  Liu, Shaomin;  Zhu, Xuefeng;  Sunarso, Jaka
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Activation energy  Ambipolar conductivity  Dual-phase membrane  Modelling  Oxygen permeation