Pregled bibliografske jedinice broj: 840540
How Reliable are Models Based on Topological Index 3χv for the Prediction of Stability Constants?
How Reliable are Models Based on Topological Index 3χv for the Prediction of Stability Constants? // Croatica chemica acta, 89 (2016), 1; 1-6 doi:10.5562/cca2723 (međunarodna recenzija, članak, znanstveni)
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Naslov
How Reliable are Models Based on Topological Index 3χv for the Prediction of Stability Constants?
Autori
Raos, Nenad ; Miličević, Ante
Izvornik
Croatica chemica acta (0011-1643) 89
(2016), 1;
1-6
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
coordination compounds ; graph-theoretical indices ; valence connectivity index ; refinement of stability constants
Sažetak
The theoretical models based on valence connectivity index of the 3rd order, 3χv, have been discussed in terms of their ability to predict stability of coordination compounds. The key factors for the success are: (1) the choice of reliable experimental data for the calibration of the model, (2) writing an appropriate constitutional formula (i.e. graph) of the complex, and (3) development of proper form of regression function. If these requirements were met, it is possible to obtain theoretical results comensurable with the experimental ones, i.e. of the sufficient quality to evaluate experimental methods or to propose the best values for stability constants.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut za medicinska istraživanja i medicinu rada, Zagreb
