Structures and Energetics of the t-Butyl Cation
作者单位：Department of Chemistry and Center for Computational Chemistry University of Georgia
会议名称：《第十六届全国原子与分子物理学术会议》
会议日期：2011年
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学]
摘 要：The properties of the t-Butyl have been controversial for some *** structures of the C3h,C3v,and Cs symmetry for the t-Butyl have been investigated here through rather rigorous electronic structure *** Cs conformation was found the global minimum at the CCSD(T)/cc-pVQZ level of *** other two