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On Normalization of Topological Resonance Energy

P. Ilić ; »Ruder Boskovic« Institute, P .O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
B. Jerman-Blažić-Džonova ; The Jozef Stefan Institute, P.O.B. 199, 61001 Ljubljana, Slovenia, Yugoslavia
B. Mohar ; The Jozef Stefan Institute, P.O.B. 199, 61001 Ljubljana, Slovenia, Yugoslavia
N. Trinajstić ; »Ruder Boskovic« Institute, P .O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia


Puni tekst: engleski pdf 4.485 Kb

str. 35-42

preuzimanja: 115

citiraj


Sažetak

Normalization of the topological resonance energy, TRE, with
respect to the total number of pi-electrons, TRE(PE), and with
respect to the number of ring bonds in a molecule, TRE(PRB), was
done. That both indices, TRE(PE) and TRE(PRB), lead to similar
predictions concerning stability and aromatic behavior of conjugated
species was shown by a comparative analysis of various
classes of compounds.

Ključne riječi

Hrčak ID:

195911

URI

https://hrcak.srce.hr/195911

Posjeta: 267 *