On the Intrinsic Difference between Topological Aromaticity and So-Called Quasi-Aromaticity
نویسندگان
چکیده
منابع مشابه
Relation between the substituent effect and aromaticity.
Molecular geometries of benzene and its 18 monosubstituted derivatives were optimized at B3LYP/6-311+G** level of theory. The changes of pi-electron delocalization of the benzene fragment were estimated by use of aromatic stabilization energies (ASE) based on different homodesmotic reaction schemes, geometry-based HOMA model, magnetism-based NICS, NICS(1), NICS(1)zz, and an electronic delocaliz...
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ژورنال
عنوان ژورنال: Bulletin of the Chemical Society of Japan
سال: 1989
ISSN: 0009-2673,1348-0634
DOI: 10.1246/bcsj.62.2798