engleski

How Reliable are Models Based on Topological Index 3χv for the Prediction of Stability Constants?

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.

coordination compounds ; graph-theoretical indices ; valence connectivity index ; refinement of stability constants

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