engleski

Equiseparable molecules and molecular graphs

By deleting an edge e(i) from the molecular graph G of an acyclic molecule, it decomposes into, two fragments, with n(l)(e(i)\G) and n(2)(e(i)\G) vertices, n(1)(e(i)\G) less than or equal to n(2)(e(i)\G), i=1, 2, ..., m. If the edges of the graphs G' and G", representing two isomeric acyclic molecules, can be chosen so that n(1)(e(i)\G') = n(1)(e(i)\G") holds for all i=1, 2, ..., m, then G' and G" are said to be equiseparable. The respective two isomeric molecules are also said to be equiseparable. The main (known) physicochemical consequences of equiseparability are pointed out. A general method for designing pairs of equiseparable molecular graphs is described, by which large sets of equiseparable species can be constructed.

Wiener index; Energy

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