What leads to direct epoxidation? An exhaustive DFT investigation of electrophilic oxygen mediated epoxidation of ethylene on Ag(100)

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manuscript.pdf (17.28 MB)

SI.pdf (10.51 MB)

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Keywords

DFT , Direct Epoxidation , Electrophylic Oxygen , Ethylene Oxide (EtO)

URI

https://hdl.handle.net/20.500.12252/6273

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Preprints Collection