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A New Topological Index for QSPR of Alkanes
Journal of Chemical Information and Computer Sciences, 1998A new topological index Xu based on the adjacency matrix A and the distance matrix D is derived in this paper. The index, which is very simple to calculate and also has good discrimination of alkane isomers, is used to correlate with the selected physicochemical properties of a wide range of alkanes.
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On reciprocal molecular topological index
Journal of Mathematical Chemistry, 2007We report some properties of the reciprocal molecular topological index RMTI of a connected graph, and, in particular, its relationship with the first Zagreb index M-1. We also derive the upper bounds for RMTI in terms of the number of vertices and the number of edges for various classes of graphs, including Kr+1 -free graphs with r >= 2, quadrangle ...
Zhou, Bo, Trinajstić, Nenad
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Molecular topological index: a relation with the Wiener index
Journal of Chemical Information and Computer Sciences, 1992Douglas J. Klein +3 more
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The Index and Some Plane Topology
1979In this chapter we complete the preliminary investigations of Chapter I on the topology of the plane. The chief tools are the index and deformation and extension techniques. The former rests squarely on the theory of the exponential function developed in the last chapter.
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Charge Indexes. New Topological Descriptors
Journal of Chemical Information and Computer Sciences, 1994Jorge Gálvez +3 more
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