2026-08-252026-08-25https://scholars.csmu.edu.tw/handle/123456789/17072In this study, several density functional theory (DFT) and CBS-QB3 calculations were performed to explore the properties of different conformers of cyclic (alkyl) (amino) carbene (CAAC) borane com...(詳)在這項研究中,以幾個密度泛函理論(DFT)和CBS-QB3計算方法對環狀烷基胺基碳烯基與亞硼基所形成之錯合物其性質進行探討,我們還考慮了許多不同的構相(conformer)。2011年,kin...(詳)硼密度泛函數理論環狀烷基胺基碳烯基自然鍵結軌域分析BoronDFTCyclic (alkyl) (amino) carbeneNatural bond orbital analysis密度泛函數理論對兩個化學系統的適用性以及精確性research project