The nitromethane-facilitated decomposition of dimethyl ether yielding surface methoxy species
收藏Figshare2025-07-28 更新2026-04-28 收录
下载链接：
https://figshare.com/articles/dataset/AIMD_Dimethyl_ether_to_surface_methoxy_species_assisted_by_methanol/29605796
下载链接
链接失效反馈官方服务：
资源简介：
The output files from ab initio molecular dynamics (AIMD) simulations of methanol conversion catalyzed by H-ZSM-5 zeolite, along with the structural coordinate files obtained from static density functional theory (DFT) calculations, demonstrate the critical role of nitromethane in facilitating the decomposition of dimethyl ether (DME).
创建时间：
2025-07-28
