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Croatica Chemica Acta, Vol.63 No.4 March 1991. -

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.



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

Fuente: http://hrcak.srce.hr/



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