期刊
CHEMICAL COMMUNICATIONS
卷 47, 期 23, 页码 6674-6676出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1cc11594d
关键词
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资金
- European Community [CP-FP 211468-2 EUMET]
- Spanish MICINN [RYC-2009-04170]
- Generalitat de Catalunya
Defending second generation Ru-catalysts in olefin metathesis from C-H (de)activation reactions requires precise catalyst design strategies. Computer simulations are used here to rationalize precisely the role of the currently used catalyst structural modifications, and the way these modifications cooperate.
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