Three-membered BeXP (X = C, Si, Ge) and CYP (Y = O, S, Se) rings are theo-retically investigated using density functional theory (DFT) methods at the B3LYP/6-311+G* and B3PW91/6-311+G* levels of theory. The research results show that the size of atoms has a great influence on the structural stability of these species. The wiberg bond indexs (WBIs) suggest the existence of delocalization in these structures. Negative nucleus-independent chemical shift (NICS) values for these species indicate that a strong ring current exists in these three-membered structures (CS symmetry). A detailed molecular orbital (MO) analysis further reveals that a delocalized π MO strengthens the structural stability and makes these species show strong aromatic characters.
展开▼
机译:上市公司股权结构对市值管理效果的影响—基于因子分析的实证研究 =The Impact of Corporate Governance Structure Upon Listed Company’s Market Value Management Effect: Based on Factor Analysis
机译:应用程序de l'approche dynamiquestatistiqueàl'étudeprévisionnelledescaractéristiquesmynamiesd'assemblages de sous-structures de satellite et de leur comportesment vibratoire dans une aabianceacoustiquealéatoirediffuse。