Data for: "Direct and solvent-free amide bond formation catalyzed by anatase-TiO2 (101) surface: insight from modeling"
收藏Figshare2024-11-13 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Data_for_Direct_and_solvent-free_amide_bond_formation_catalyzed_by_anatase-TiO_sub_2_sub_101_surface_insight_from_modeling_/26132809
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资源简介：
Metadynamics trajectory describing the reaction path for the direct and solvent-free amide bond formation process between gas-phase methylamine and TiO2-adsorbed formic acid. The trajectory is in the .xyz format.
创建时间：
2024-11-13
