Data for: "Direct and solvent-free amide bond formation catalyzed by anatase-TiO2 (101) surface: insight from modeling"
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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
