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浏览/检索结果: 共14条，第1-10条 帮助 限定条件 学科主题：物理化学与绿色催化    内容类型：期刊论文     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Tunneling Effect That Changes the Reaction Pathway from Epoxidation to Hydroxylation in the Oxidation of Cyclohexene by a Compound I Model of Cytochrome P450 期刊论文 Journal of Physical Chemistry Letters, 2017, 卷号: 8, 期号: 7, 页码: 1557-1561 作者:  Ranjana Gupta;  Li, Xiao-Xi;  Kyung-Bin Cho;  Guo, Mian;  Lee, Yong-Min 收藏  |  浏览/下载：18/0  |  提交时间：2017/05/22 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 作者:  Wang F(王芳);  Sun W(孙伟);  Xia CG(夏春谷);  Wang Y(王永);  Wang Y(王永) 收藏  |  浏览/下载：24/0  |  提交时间：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 作者:  Zhen WL(甄文龙);  Gao, Feng;  Tian B(田彬);  Ding, Ping;  Deng, Yibing 收藏  |  浏览/下载：31/0  |  提交时间：2017/08/28 CO2 methanation  Ni(111) facet  High activity  Density-functional theory  Low activation energy   Proton-Promoted and Anion-Enhanced Epoxidation of Olefins by Hydrogen Peroxide in the Presence of Nonheme Manganese Catalysts 期刊论文 Journal of the American Chemical Society, 2016, 卷号: 138, 期号: 3, 页码: 936-943 作者:  Miao CX(苗成霞);  Wang B(王斌);  Wang Y(王永);  Xia CG(夏春谷);  Lee, Yong -Min 收藏  |  浏览/下载：26/0  |  提交时间：2016/04/11 Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes to Silicon-Stereogenic Silanes: A Density Functional Theory Study 期刊论文 Chemistry - An Asian Journal, 2016, 卷号: 11, 期号: 20, 页码: 2867-2875 作者:  Zhang, Jin;  Xu, Jin-Zhou;  Zheng ZJ(郑战江);  Xu, Zheng;  Cui, Yu-Ming 收藏  |  浏览/下载：20/0  |  提交时间：2016/12/23 density functional calculations  desymmetrization  reaction mechanisms  ring expansion  silylation   How PBDEs Are Transformed into Dihydroxylated and Dioxin Metabolites Catalyzed by the Active Center of Cytochrome P450s: A DFT Study 期刊论文 Environmental Science and Technology, 2016, 卷号: 50, 期号: 15, 页码: 8155-8163 作者:  Fu, Zhiqiang;  Wang Y(王永);  Chen, Jingwen;  Wang, Zhongyu;  Wang, Xingbao 收藏  |  浏览/下载：18/0  |  提交时间：2016/10/17 Fabrication of Low Adsorption Energy Ni-Mo Cluster Cocatalyst in Metal-Organic Frameworks for Visible Photocatalytic Hydrogen Evolution 期刊论文 ACS Applied Materials and Interfaces, 2016, 卷号: 8, 期号: 17, 页码: 10808-10819 作者:  Zhen WL(甄文龙);  Gao, Haibo;  Tian B(田彬);  Ma JT(马建泰);  Lu GX(吕功煊) 收藏  |  浏览/下载：34/0  |  提交时间：2016/08/19 NiMo@MIL-101  density functional theory  low adsorption energy  visible photocatalytic hydrogen generation  apparent quantum efficiency   Silver Migration Facilitates lsocyanide-Alkyne [3+2] Cycloaddition Reactions: Combined Experimental and Theoretical Study 期刊论文 ACS Catalysis, 2015, 卷号: 5, 期号: 11, 页码: 6640-6647 作者:  Qi, Xiaotian;  Zhang, Heng;  Shao, Ailong;  Zhu, Lei;  Xu, Ting 收藏  |  浏览/下载：24/0  |  提交时间：2016/01/12 silver migration  [3+2] cycloaddition  DFT calculation  NPA charge  competitive experiments   Mechanistic study for the formation of polyoxymethylene dimethyl ethers promoted by sulfonic acid-functionalized ionic liquids 期刊论文 Journal of Molecular Catalysis A: Chemical, 2015, 卷号: 408, 页码: 228-236 作者:  Wang F(王芳);  Zhu GL(朱刚利);  Li Z(李臻);  Zhao F(赵峰);  Xia CG(夏春谷) 收藏  |  浏览/下载：19/0  |  提交时间：2015/10/12 Polyoxymethylene dimethyl ethers  Sulfonic acid-functionalized ionic liquids  Mechanism  DFT   Theoretical Research on the Multi-channel Reaction Mechanism of CHF Radical with HNCO by Density Functional Theory 期刊论文 Chinese Journal of Structural Chemistry, 2015, 卷号: 34, 期号: 8, 页码: 1151-1160 作者:  Han Yan-Xia;  Kong C(孔超);  Hou Li-Jie;  Wu Bo-Wan;  Chen Dong-Ping 收藏  |  浏览/下载：16/0  |  提交时间：2015/10/29 CHF radical  isocyanic acid  mechanism  equilibrium constant  rate constant