Mechanochemistry of phosphate esters confined between sliding iron surfaces
作者： Carlos Ayestarán Latorre , Joseph E Remias , Joshua D Moore , Hugh A Spikes , Daniele Dini
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摘要: … Most of these NEMD simulations employed many-body empirical force fields 30,31,32,33,34,… of phosphate esters on iron and iron oxide surfaces 46 . In this study, we use NEMD …
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