Charge-related Topological

An index with extremely low degeneracy (i.e., where no degenerate structures have been observed yet) [6], the Charge-related Topological Index (CTI), has been proposed by one of the authors (l.B.) (Figure 6-1). It has a potential-like form (Eq. (4)). 

Demirev, P.A., Dyulgerov, A.S. and Bangov, I.P. (1991). CTI A Novel Charge-Related Topological Index with Low Degeneracy. J.Math.Chem., 8,367-382. 

Two specific charge-related indices called ASIIg index and Charge Topological Index (CTI), respectively, were defined as the following ... 

Using the more advanced quantum chemical computational methods it is now possible to determine the fundamental electronic properties of zeolite structural units. The quantum chemical basis of Loewenstein s "aluminum avoidance" rule is explored, and the topological features of energy expectation value functionals within an abstract "nuclear charge space" model yield quick estimates for energy relations for zeolite structural units. 

With the topological analysis of the total charge density, the distinction between a covalent and a closed-shell ionic interaction can be based on the value of the Laplacian and its components at the bond critical point. Such an analysis will be most conclusive when done on a series of related compounds, analyzed with identical basis sets, as the topological values of the model density from experimental data have been found to be quite dependent on the choice of basis functions. 

More sophisticated systems are able to remove charges from cells which have a higher voltage than the others and to bring them to cells which have a lower voltage in the series connection [58], Among the main converter topologies, the bidirectional nondissipative buck-boost converter [59,60] and the flyback converter [61,62] are the most studied. Active systems appear to be sophisticated circuits and thus may be expensive in relation to the cost of the cell they are intended to protect. 

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