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Rate constant computations for proton-coupled electron transfer reactions via the mixed quantum-clas
[会议论文] 作者：F.A.Shakib,G.Hanna,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
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Rate constant computations for proton-coupled electron transfer reactions via the mixed quantum-clas
[会议论文] 作者：F.A.Shakib,G.Hanna,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
Calculations of rate constants for condensed phase proton-coupled electron transfer(PCET) reactions are complicated by quantum effects such as tunnelling and zero point energy....
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