Title of article
Graph-Theoretical Re-interpretation of NICS Values for Polycyclic Aromatic Hydrocarbons: Naphthalene and Azulene
Author/Authors
Aihara، Jun-ichi نويسنده , , Oe، Sumio نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2003
Pages
-1362
From page
1363
To page
0
Abstract
Even for the simplest polycyclic aromatic hydrocarbons, such as naphthalene and azulene, the nucleus-independent chemical shift (NICS) calculated at a ring center does not always represent local aromaticity. NICS reflects currents induced in many cyclic paths in a (pi)-system.
Journal title
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
Serial Year
2003
Journal title
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
Record number
71571
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