C<sub>6</sub>H<sub>6</sub>与B<sub>12</sub>H<sub>12</sub><sup>2-</sup>的分子轨道和核独立化学位移计算——推荐一个普适性的计算化学实验

Molecular Orbital and Nucleus-Independent Chemical Shift Calculations for C₆H₆ and B₁₂H₁₂^2-: A Computational Chemistry Experiment

Jiying Liu, Zehua Li, Wenjing Zhang, Donghui Wei

University Chemistry . 2025, (3): 186 -192 . DOI: 10.12461/PKU.DXHX202406085