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提出了计算速率常数的精细态—态过渡态表达式,考虑隧道效应的计算结果与实验结果符合得较好,特别是室温以下,未考虑隧道效应的计算值偏离,实验结果较明显。
The formula of calculating the transition state of the fine state of the rate constant is put forward. The calculation result of the tunnel effect is in good agreement with the experimental result. Especially, the calculated value of the tunnel effect is not considered below room temperature, and the experimental result is obvious.