中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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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
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