Topologically organized systems, analysi

The ELF was proposed by Becke and Edgecombe [7] in 1990 and very soon extensively applied to a variety of systems ranging from atoms to inorganic and organic molecules to solids [9]. In 1994, a topological analysis of the ELF was... 

The stereochemical shape concept covers a wide range of possible resolutions, from the details of electron density distributions between pairs of nuclei in relatively small molecules to the structural organization of the tertiary structure of proteins [201-203], the architecture of supramolecular assemblies [204-230], the problems of shape selectivity in reactions of large molecules [231-233], and the intriguing shape features of self-replicating chemical systems [234-239]. In the following chapters we shall discuss various topological shape analysis techniques, suitable for the relevant level of resolution. 

The paper is organized as follows. The next Section 2 presents some topological centrahty measmes which can be used to quantify the importance of groups of nodes. Section 3 presents the proposed optimization approach. In Section 4, the approach is applied to the topological structure of the IEEE 14 BUS network system the results obtained using the group betweenness centrahty measure as importance indicator, are illustrated in details. Conclusions on the outcomes of the analysis are eventuahy drawn in Section 5. 

Following those ideas, it has been proposed to do the topological analysis on an ELF formed only by the n orbitals and the other one formed only by the o orbitals [16,17]. This scheme has shown that the bifurcation analysis of the ELF,j and ELF(, characterizes in a reasonable way the n and o aromaticity in a variety of systems going from organic molecules to atomic clusters [18,19]. 

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