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近年来共振论取得了令人注目的进展。人们发现分子的稳定性、共振能等宏观性质以及分子轨道系数、键序等微观参数均与共振结构计数 SC(Structure Count)密切相关。对于交替烃,SC 可以运用零和规则手算求得,对于稠环类苯型化合物,R.L.Brown 编写了FORTRAN 程序。本文采用 BASIC 语言,发展了 Brown 的设计思想,使程序简单明了且能计算有联苯情况下的 SC。
Resonance theory has made remarkable progress in recent years. It has been found that the stability of the molecule, the macroscopic properties of the resonance energy, and the microscopic parameters such as the molecular orbital coefficient and the bond order are all closely related to the Structure Count (SC). For alternate hydrocarbons, SC can be calculated using the zero-sum rule, and for the fused-ring benzene compounds, R.L. Brown wrote the FORTRAN program. This article uses the BASIC language, the development of Brown’s design ideas, the program is simple and can calculate the case of biphenyl SC.