机构

• 化学研究所 [6]
• 大连化学物理研究所 [6]

采集方式

• OAI收割 [12]

内容类型

• 期刊论文 [12]

发表日期

• 2016 [1]
• 2014 [1]
• 2013 [2]
• 2012 [3]
• 2011 [1]
• 2010 [1]
• 更多

学科主题

• 物理化学 [1]

筛选

浏览/检索结果: 共12条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Two-State Reactivity in Low-Valent Iron-Mediated C-H Activation and the Implications for Other First-Row Transition Metals 期刊论文  OAI收割 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016, 卷号: 138, 期号: 11, 页码: 3715-3730 作者:  Sun, Yihua;  Tang, Hao;  Chen, Kejuan;  Hu, Lianrui;  Yao, Jiannian 收藏  |  浏览/下载：25/0  |  提交时间：2017/01/23 Identification of a low-spin acylperoxoiron(III) intermediate in bio-inspired non-heme iron-catalysed oxidations 期刊论文  OAI收割 nature communications, 2014, 卷号: 5 作者:  Oloo, Williamson N.;  Meier, Katlyn K.;  Wang, Yong;  Shaik, Sason;  Muenck, Eckard 收藏  |  浏览/下载：22/0  |  提交时间：2015/11/17 Nonheme Iron Oxidant Formed in the Presence of H2O2 and Acetic Acid Is the Cyclic Ferric Peracetate Complex, Not a Perferryloxo Complex 期刊论文  OAI收割 acs catalysis, 2013, 卷号: 3, 期号: 6, 页码: 1334-1341 作者:  Wang, Yong;  Janardanan, Deepa;  Usharani, Dandamudi;  Han, Keli;  Que, Lawrence, Jr. 收藏  |  浏览/下载：24/0  |  提交时间：2014/09/11 nonheme iron  C-H activation  density functional calculations  oxometal  O-O homolysis   What Factors Control 02 Binding and Release Thermodynamics in Mononuclear Ruthenium Water Oxidation Catalysts? A Theoretical Exploration 期刊论文  OAI收割 INORGANIC CHEMISTRY, 2013, 卷号: 52, 期号: 9, 页码: 5088-5096 作者:  Zhang, Guiling;  Chen, Kejuan;  Chen, Hui;  Yao, Jiannian;  Shaik, Sason   |  收藏  |  浏览/下载：19/0  |  提交时间：2019/04/09 Why Is Cobalt the Best Transition Metal in Transition-Metal Hangman Corroles for O-O Bond Formation during Water Oxidation? 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2012, 卷号: 3, 期号: 17, 页码: 2315-2319 作者:  Lai, Wenzhen;  Cao, Rui;  Dong, Geng;  Shaik, Sason;  Yao, Jiannian   |  收藏  |  浏览/下载：24/0  |  提交时间：2019/04/09 How Accurate Can a Local Coupled Cluster Approach Be in Computing the Activation Energies of Late-Transition-Metal-Catalyzed Reactions with Au, Pt, and Ir? 期刊论文  OAI收割 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2012, 卷号: 8, 期号: 9, 页码: 3119-3127 作者:  Kang, Runhua;  Lai, Wenzhen;  Yao, Jiannian;  Shaik, Sason;  Chen, Hui   |  收藏  |  浏览/下载：28/0  |  提交时间：2019/04/09 Nonheme iron-oxo and -superoxo reactivities: O-2 binding and spin inversion probability matter 期刊论文  OAI收割 CHEMICAL COMMUNICATIONS, 2012, 卷号: 48, 期号: 16, 页码: 2189-2191 作者:  Cho, Kyung-Bin;  Chen, Hui;  Janardanan, Deepa;  de Visser, Sam P.;  Shaik, Sason   |  收藏  |  浏览/下载：13/0  |  提交时间：2019/04/09 Perferryl Fe-v-Oxo Nonheme Complexes: Do They Have High-Spin or Low-Spin Ground States? 期刊论文  OAI收割 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2011, 卷号: 7, 期号: 10, 页码: 3049-3053 作者:  Chen, Hui;  Lai, Wenzhen;  Yao, Jiannian;  Shaik, Sason   |  收藏  |  浏览/下载：14/0  |  提交时间：2019/04/09 An Acyl Group Makes a Difference in the Reactivity Patterns of Cytochrome P450 Catalyzed N-Demethylation of Substituted N,N-Dimethylbenzamides-High Spin Selective Reactions 期刊论文  OAI收割 journal of physical chemistry b, 2010, 卷号: 114, 期号: 8, 页码: 2964-2970 作者:  Wang, Yong;  Li, Dongmei;  Han, Keli;  Shaik, Sason 收藏  |  浏览/下载：18/0  |  提交时间：2015/11/12 Theoretical study of N-demethylation of substituted N,N-dimethylanilines by cytochrome P450: The mechanistic significance of kinetic isotope effect profiles 期刊论文  OAI收割 journal of physical chemistry b, 2007, 卷号: 111, 期号: 26, 页码: 7700-7710 作者:  Wang, Yong;  Kumar, Devesh;  Yang, Chuanlu;  Han, Keli;  Shaik, Sason 收藏  |  浏览/下载：23/0  |  提交时间：2015/11/11