Hole mobilities in the amorphous phase were evaluated for 12 kinds of molecules using the novel successive conduction (SC) model based on the simple sequential transfer model with no adjustable parameter. The SC model makes it possible to evaluate hole mobilities in the amorphous phase based on calculated site contributions to the mobility of each component molecule in a reasonable computational time. This model associates local properties in the amorphous phase to the observable mobility. In order to demonstrate the efficiency of this model, the relationships between hole mobilities and molecular structures were examined for 12 organic molecules to understand physical properties related to their mobilities in prepared amorphous structures by molecular dynamics simulations. The maximum deviation between the experimental and the calculated values is two orders of magnitude but the calculated results reasonably reproduced the experiments for some molecules. It was confirmed that molecular interactions with only a few neighboring molecules dominantly contributed to the site contribution and the high concentration of large site contributions were important to the observable hole mobility by the SC model.

使用新型连续传导（SC）模型，基于简单的连续转移模型（无可调参数），评估了12种分子在非晶相中的空穴迁移率。SC模型使得可以在合理的计算时间内基于对每个组分分子的迁移率的计算出的位点贡献来评估非晶相中的空穴迁移率。该模型将非晶相中的局部性质与可观察到的迁移率相关联。为了证明该模型的有效性，研究了12种有机分子的空穴迁移率与分子结构之间的关系，以通过分子动力学模拟了解与制备的无定形结构中迁移率有关的物理性质。实验值与计算值之间的最大偏差为两个数量级，但计算结果合理地重现了某些分子的实验结果。可以证实，与少数几个相邻分子的分子相互作用起主要作用于位点贡献，而高浓度的大位点贡献对SC模型可观察到的空穴迁移率很重要。