Two-dimensional RMSD projections for reaction path visualization and validation
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<p>This record contains the complete optimization trajectories, potential model, and analysis data for the Nudged Elastic Band (NEB) calculation of the ethylene + N$_2$O...
本数据集包含用于乙烯与一氧化二氮（N₂O）的 nudged弹性带（Nudged Elastic Band, NEB）计算的完整优化轨迹、势能模型及分析数据……
