.

Laurent Bonnet1, Maurice Monnerville2

  • 1Univ. Bordeaux, CNRS, Bordeaux INP, ISM, UMR 5255, F-33400 Talence, France. claude-laurent.bonnet@u-bordeaux.fr.

概括

高斯分类通过给轨迹赋予统计权重来增强化学反应的经典动力学模拟. 这项研究将该方法扩展到激活复合体,改善了反应概率预测.

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