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类金刚石碳薄膜多气氛摩擦学行为及摩擦机理研究 学位论文
, 北京: 中国科学院大学, 2017
Authors:  师晶
Adobe PDF(6792Kb)  |  Favorite  |  View/Download：326/3  |  Submit date：2018/01/09
类金刚石薄膜  类富勒烯  摩擦磨损机理  分子吸附  密度泛函  Diamond-like Carbon Film  Fullerene-like Structure  Tribological Mechanisms  Molecule Adsorption  Density Functional Theory Calculation  
DFT studies of the substituent effects of dimethylamino on non-heme active oxidizing species: iron(V)-oxo species or iron(IV)-oxo acetate aminopyridine cation radical species? 期刊论文
Journal of Biological Inorganic Chemistry, 2017, 卷号: 22, 期号: 7, 页码: 987-998
Authors:  Wang F(王芳);  Sun W(孙伟);  Xia CG(夏春谷);  Wang Y(王永);  Wang Y(王永)
Adobe PDF(1516Kb)  |  Favorite  |  View/Download：103/1  |  Submit date：2017/11/24
Non-heme Iron  Epoxidation  Density Functional Theory  Substituent Effect  Cation Radical Species  
Enhancing activity for carbon dioxide methanation by encapsulating (111) facet Ni particle in metal-organic frameworks at low temperature 期刊论文
Journal of Catalysis, 2017, 卷号: 348, 页码: 200-211
Authors:  Zhen WL(甄文龙);  Gao, Feng;  Tian B(田彬);  Ding, Ping;  Deng, Yibing;  Li Z(李振);  Gao, Haibo;  Lu GX(吕功煊);  Lv GX(吕功煊)
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Co2 Methanation  Ni(111) Facet  High Activity  Density-functional Theory  Low Activation Energy