Data and analyses for first proton-coupled electron transfer of water oxidati...
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This entry provides original trajectories of on-the-fly probability enhanced sampling (OPES) and of molecular dynamics simulations and images of nudged-elastic band (NEB)...
本条目提供在线概率增强采样（on-the-fly probability enhanced sampling, OPES）以及分子动力学模拟的原始轨迹，同时附带弹性带方法（nudged-elastic band, NEB）的相关图像……
