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日期 : 2005/11/23

進 度 報 告. 日期 : 2005/11/23. HHeF. Table 1: Calculated Born-Oppenheimer Energies of Reaction and Barrier Heights (in kcal/mol) for HHeF → HF + He at Various Levels.

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日期 : 2005/11/23

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  1. 進 度 報 告 日期: 2005/11/23 • HHeF

  2. Table 1: Calculated Born-Oppenheimer Energies of Reaction and Barrier Heights (in kcal/mol) for HHeF → HF + He at Various Levels.

  3. Table 2: Calculated Born-Oppenheimer Energies of Reaction and Barrier Heights(in kcal/mol) for HHeF → H + F + He reactions at Various Levels.

  4. Table 3: Calculated Rate Constants (in s−1) of HHeF → HF + He aThe conventional method using continuous energy levels for tunneling. buse harmonic approximation.

  5. Table 4: Calculated Rate Constants (in s−1) of HHeF  H + He + F aThe conventional method using continuous energy levels for tunneling. buse harmonic approximation.

  6. Figure 1. Calaulated dual level potential energy curves along the reaction path for HHeF → HF + He.

  7. Figure 2. Calaulated dual level potential energy curves along the reaction path for HHeF → H + F + He.

  8. Figure 3. Arrhenius plot of the calculated rate constants for the HHeF → HF + He reaction.

  9. Figure 4. Arrhenius plot of the calculated rate constants for the HHeF → H + F +He reaction.

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