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The Conjugated-Circuits Model: On the Selection of the Parameters

D. Plavšić ; The Rugjer Bošković Institute, P.O.B. 1016, 41000 Zagreb, The Republic of Croatia
S. Nikolić ; The Rugjer Bošković Institute, P.O.B. 1016, 41000 Zagreb, The Republic of Croatia
N. Trinajstić ; The Rugjer Bošković Institute, P.O.B. 1016, 41000 Zagreb, The Republic of Croatia


Puni tekst: engleski pdf 3.937 Kb

str. 683-692

preuzimanja: 266

citiraj


Sažetak

Four sets of parameters that are used in the framework of the semi-empirical VB resonance-theoretic model named the conjugated-circuits model are cam pared. The basis of the comparisan was statistical analysis of the linear relationship between the REs obtained by the Dewar's SCF Jr-MO model and the REs obtained by the conjugated-circuits model. All four sets of parameters lead to the linear relationships
with similar statistical characteristics. Since the value of the R4 parameter is rather uncertain the three- parameter model is recommended to be used.

Ključne riječi

Hrčak ID:

176525

URI

https://hrcak.srce.hr/176525

Posjeta: 551 *