【刊名】Chongqing Daxue Xuebao/Journal of Chongqing University
【作者单位】aDepartment of Physics, Taiyuan Normal University, Shanxi, Jinzhong, 030619, China;bCollege of Physics, Taiyuan University of Technology, Taiyuan, 030024, China
【年份】2024
【卷号】Vol.47 No.11
【页码】112-119
【ISSN】1000-582X
【关键词】aromaticity density functional theory spectral properties
【摘要】 The physical-chemical properties and electronic structures of AlN were optimized using density functional theory at the B3LYP/6-31g level. The results revealed four stable ground-state structures with point groups S, C, S, and O for AlN clusters. No...
