Original scientific paper

On Additivity of Heats of Atomization of Benzenoid Hydrocarbons

T. Živković ; 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
M. Randić ; Ames Laboratory, US DOE, Iowa State University, Ames, Iowa, U .S.A.

Abstract

An additivity scheme, based on Clar's formulae, is proposed
for calculating heats of atomization of benzenoid hydrocarbons:
Comparison between the results obtained by this scheme, by the
semiempirical SCF MO model, and experimental findings is good.
This satisfactory agreement, thus, presents independent support for
Clar's notion of isolated Jt sextets and migrating sextets.

Keywords

Hrčak ID:

194319

URI

https://hrcak.srce.hr/194319

Publication date:

31.12.1981.

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