A Study of the Calculation of Resonance Energies of Polycyclic Benzenoid Hydrocarbons by SRT SRT计算多环苯型烃共振能的研究
A high accurate equation for the theoretical prediction of  ̄( 13) C-NMR Chemical Shift of 10 benzenoid parent polycyclic aromatic hydrocarbons ( PAH) has been put forward in this paper. It is calculated by CNDO method. 本文利用CNDO方法对十个多环芳烃化合物的~(13)C-NMR的化学位移进行了理论上的计算,并提出了一个联系分子电荷密度、键级和键长等多数的半经验公式。
A New Model of Aromaticity of Benzenoid Hydrocarbons& Symmetric Coupling Circuits Circle of Friends 苯型烃的芳香性新模型&对偶圈
The Quantitative Sequence of Conjugative Effect of the Even Benzenoid Hydrocarbons 苯型稠环分子共轭效应的定量序列
A New Method for the Calculation of Resonance Energies of Polycyclic Conjugated Hydrocarbons and Its Applications ( II) Complicated Polycyclic Benzenoid Hydrocarbons ( IV) Cyclobutadienes 计算多环共轭烃的共振能的新方法及其应用&(Ⅲ)复杂的多环苯型烃
The regular principle of molecular periodic systems of Dias'polycyclic benzenoid hydrocarbons is introduced and discussed. On the basis of this, a complete molecular periodic table for polycyclic benzenoid aromatic hydrocarbons is presented and we pay more attentions to the applications of this table. 介绍了J.R.Dias的多环苯型芳烃周期系的速归原理,在此基础上建立了一个完整的稠环苯型芳烃分子周期表,并讨论了该表的应用。