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Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334
Authors:  Chen, Jun;  Su, Neil Qiang;  Xu, Xin;  Zhang, Dong H.
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Xyg3  Doubly Hybrid  Density Functional Theory  Potential Energy Surface  Quantum Dynamics  Rate Coefficients  
Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334
Authors:  Chen, Jun;  Su, Neil Qiang;  Xu, Xin;  Zhang, Dong H.
Favorite  |  View/Download:31/0  |  Submit date:2017/12/19
Xyg3  Doubly Hybrid  Density Functional Theory  Potential Energy Surface  Quantum Dynamics  Rate Coefficients  
A full-dimensional time-dependent wave packet study of the H + CO2 -> OH plus CO reaction 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 683, 页码: 352-356
Authors:  Sun, Peng;  Chen, Jun;  Liu, Shu;  Zhang, Dong H.
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Methane dissociation on Ni(111): A seven-dimensional to nine-dimensional quantum dynamics study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 2
Authors:  Shen, Xiangjian;  Zhang, Zhaojun;  Zhang, Dong H.
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An approximate full-dimensional quantum dynamics study of the mode specificity in the dissociative chemisorption of D2O on rigid Cu(111) 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 页码: 11960-11967
Authors:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
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HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functional 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 16
Authors:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
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In-Depth Proteomic Quantification of Cell Secretome in Serum-Containing Conditioned Medium 期刊论文
ANALYTICAL CHEMISTRY, 2016, 卷号: 88, 期号: 9, 页码: 4971
Authors:  Weng YJ(翁叶婧);  Sui ZG(随志刚);  Dan YC(单亦初);  Jiang H(蒋好);  Zhou Y(周愿);  Zhu XD(朱旭东);  Liang Z(梁振);  Zhang LH(张丽华);  Zhang YK(张玉奎)
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Synthesis of 1, 6-hexanediol from HMF over double-layered catalysts of Pd/SiO 2+ Ir–ReO x/SiO 2 in a fixed-bed reactor 期刊论文
GREEN CHEMISTRY, 2016, 卷号: 18, 期号: 7, 页码: 2175
Authors:  萧斌;  郑明远;  李新生;  庞纪峰;  孙睿岩;  王华;  潘晓丽;  王爱琴;  王晓东;  张涛
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InterlayerWater Regulates the Bio-nano Interface of a b-sheet Protein stacking on Graphene 期刊论文
Scientific Reports, 2015, 卷号: 5, 期号: 0, 页码: 075721
Authors:  Lv WP(吕闻凭);  Xu GJ(徐桂菊);  Zhang HY(张红燕);  Li X(李鑫);  Liu SJ(刘胜菊);  Niu H(牛欢);  Xu DS(徐东生);  Wu RA(吴仁安)
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Bio-inspired Construction of Advanced Fuel Cell Cathode with Pt Anchored in Ordered Hybrid Polymer Matrix 期刊论文
Scientific Reports, 2015, 卷号: 5, 期号: 0, 页码: 161001
Authors:  Xia ZX(夏章讯);  Wang SL(王素力);  Jiang LH(姜鲁华);  Sun H(孙海);  Liu S(刘爽);  Fu XD(付旭东);  Zhang Bingsen;  Su DS(苏党生);  Wang Jianqiang;  Sun GQ(孙公权)
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