
The ABC index is a degree-based molecular structure descriptor, that found chemical applications. Finding the connected graph(s) of a given order whose ABC index is minimal is a hitherto unsolved problem, but it is known that these must be trees. In this paper, by combining mathematical arguments and computer-based modeling we establish the basic structural features of the minimum-ABC trees.
Extremal problems in graph theory, Connectivity, extremal graph, Applications of graph theory, Molecular structure (graph-theoretic methods, methods of differential topology, etc.), Trees, computer search, atom-bond connectivity index, ABC index, ABC index; extremal values; molecular descriptor, molecular descriptor, Searching and sorting, extremal values
Extremal problems in graph theory, Connectivity, extremal graph, Applications of graph theory, Molecular structure (graph-theoretic methods, methods of differential topology, etc.), Trees, computer search, atom-bond connectivity index, ABC index, ABC index; extremal values; molecular descriptor, molecular descriptor, Searching and sorting, extremal values
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