Intra- and intermolecular proton transfer in 1H(2H)-1,2,3-triazole based systems.
نویسندگان
چکیده
Hartree-Fock ab initio and density functional theory calculations suggest that intra- and intermolecular proton transfer between neutral and protonated triazole tautomers play a vital role in the observed dramatic proton conduction in triazole-based polymer electrolyte membranes.
منابع مشابه
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ورودعنوان ژورنال:
- The journal of physical chemistry. A
دوره 110 7 شماره
صفحات -
تاریخ انتشار 2006