Stability and reactivities based on moment analysis
作者： Y. Jiang , H. Zhang
DOI: 10.1007/BF00533194
关键词:
摘要: The truncated expansion of a function ¦x¦ is used to obtain the total Huckel π-electron energy partitioned into various sums, in terms moments as well molecular fragments. additivity general satisfactory for acyclic and cyclic systems, which exhibit regularity called generalized rule indicates whether fragment plays role stabilization or destabilization. A unified treatment based on partitioning proposed rationalizing aromaticity, reactivities bond lengths conjugated hydrocarbons. relationships between properties topology can be deduced from inspecting, enumerating summing relative contributions
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