化学
分子内力
密度泛函理论
戒指(化学)
质子
质子亲和力
计算化学
立体化学
结晶学
含时密度泛函理论
质子核磁共振
氢键
作者
Hamid Saeidian,Mahdi Askari,Zohreh Mirjafary
摘要
In this study, the role of intramolecular proton–π interactions in enhancing the proton affinity (PA) and gas-phase basicity (GB) of bicycloamine derivatives was systematically investigated using density functional theory (DFT)...
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