The Simplest General Formula of Approximate Calculationfor Total π- Bond Energies of Randomly Fused Polycyclic Aromatic Hydrocarbons
The Simplest General Formula of Approximate Calculationfor Total π- Bond Energies of Randomly Fused Polycyclic Aromatic Hydrocarbons作者机构:Department of Chemistry Hubei Institute for Nationalities Enshi 445000 PRC
出 版 物:《Chinese Science Bulletin》 (中国科学通报)
年 卷 期:1994年第39卷第18期
页 面:1516-1519页
核心收录:
学科分类:07[理学] 070102[理学-计算数学] 0701[理学-数学]
主 题:polycyclic aromatic hydrocarbons total π bond energy approximate calculation the simplest general formula.
摘 要:The total π-bond energy shows a quantum-chemical characteristic of the conjugated molecules. Based on HMO methods, a lot of people try to search for the simple general formulas of an approximated calculation for a wide use. So far, a large number of calculation methods have been suggested, but not the best. On