首页> 外文OA文献 >Table 2: M06-2X/6-31G(d) predicted storage densities and back reaction barrier heights for the three molecules with near 0.6 kJ/g storage density shown in Fig. 3A, based on the lowest free energy structures.

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Table 2: M06-2X/6-31G(d) predicted storage densities and back reaction barrier heights for the three molecules with near 0.6 kJ/g storage density shown in Fig. 3A, based on the lowest free energy structures.

机译：表2：M06-2X / 6-31G（D）预测储存密度和背反应屏障高度，其三个分子具有近0.6kJ / g储存密度，如图3所示，基于最低自由能结构。

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7. Table 1: M06-2X/6-31G(d) predicted storage densities and back reaction barrier heights for the five molecules with largest storage densities among the molecules highlighted in Fig. 3B, based on the lowest free energy structures. [O] . -1

机译：表1：M06-2X / 6-31G（D）预测储存密度和具有最大储存密度在图3B中突出的最大储存密度的储存密度和背部反应屏障高度。3B，基于最低自由能结构。

Table 2: M06-2X/6-31G(d) predicted storage densities and back reaction barrier heights for the three molecules with near 0.6 kJ/g storage density shown in Fig. 3A, based on the lowest free energy structures.

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