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Herndon' s Structure-Resonance Theory. On the Valence Structure Count for Conjugated Radical Cations

M. Randić ; Ames Laboratory-DOE, Iowa State University, Ames, Iowa 50011, Department of Mathematics, Drake University, Des Moines, Iowa 50311, U.S.A.
B. Ruščić ; The Rugjer Boskovic Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
N. Trinajstić ; The Rugjer Boskovic Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia


Puni tekst: engleski pdf 10.514 Kb

str. 295-308

preuzimanja: 179

citiraj


Sažetak

Enumeration of valence structures for conjugated radical
cations is of interest in estimating the first ionization potentials
of conjugated hydrocarbons. Alternative routes for enumeration
are reviewed and a novel method, based on the properties of the
acyclic polynomials of conjugated structures, is outlined. The
method is illustrated for several molecules and results reported
for a number of conjugated systems involving either 14 or less
carbon atoms.

Ključne riječi

Hrčak ID:

194318

URI

https://hrcak.srce.hr/194318

Posjeta: 342 *