Replication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing ...

DFT calculations were carried out to explore all relevant pathways for the ring-closing metathesis (RCM) reaction of a cationic molybdenum imido alkylidene N-heterocyclic...本研究开展密度泛函理论（Density Functional Theory, DFT）计算，以探究阳离子钼亚氨基亚烷基氮杂环（N-heterocyclic）类底物的关环复分解（ring-closing metathesis, RCM）反应的所有相关反应路径。