Results 271 to 280 of about 3,892,377 (304)

Extension of a Highly Discriminating Topological Index

Journal of Chemical Information and Modeling, 2015
A highly discriminating topological index, EAID, is generated in our laboratory. A systematic search for degeneracy was performed on a total of over 14 million structures, and no duplicate occurred. These structures are as follows: over 3.8 million alkane trees with 1-22 carbon atoms; over 0.38 million structures containing heteroatoms; over 4 million ...
Qing-You Zhang, Chengcheng Wu, Fangfang Zheng, Tanfeng Zhao, Yanmei Zhou, Lu Xu   +5 more
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The Sum of a Topological Index and Its Reciprocal Index

Match Communications in Mathematical and in Computer Chemistry
Summary: Let \(G\) be a simple connected graph. For a vertex-degree-based topological index \(TI_f(G) = \sum\limits_{uv\in E(G)}f(d_u, d_v)\), where \(f(x, y)\) is a pertinently chosen symmetric real function, the topological index \(RTI_f(G) = \sum\limits_{uv\in E(G)}\frac{1}{f(d_u, d_v)}\) is called the reciprocal index of \(TI_f\).
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A New Topological Index for QSPR of Alkanes

Journal of Chemical Information and Computer Sciences, 1998
A 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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Topological Index and Analytical Index: Reformulation of Index Theory

2019
In this part we present the main algebraic structures on topological manifolds and we reformulate the index theory.
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Molecular topological index: a relation with the Wiener index

Journal of Chemical Information and Computer Sciences, 1992
Douglas J. Klein, Zlatko Mihalic, Dejan Plavsic, Nenad Trinajstic   +3 more
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Computation of the Forgotten Topological Index and Co-Index for Carbon Base Nanomaterial

Polycyclic Aromatic Compounds, 2022
Ali Kemal Havare, Özge Colakoglu
exaly  

The Index and Some Plane Topology

1979
In 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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Index Theorems and Noncommutative Topology

2008
These lecture notes are mainly devoted to a K-theory proof of the Atiyah-Singer index theorem. Some applications of the K-theory to noncommutative topology are also given.
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Energy of a digraph with respect to a VDB topological index

Special Matrices, 2022
Juan Rada, Juan Monsalve
exaly  

Charge Indexes. New Topological Descriptors

Journal of Chemical Information and Computer Sciences, 1994
Jorge Gálvez, Ramón García-Domenech, M. Teresa Salabert-Salvador, Rosa Soler   +3 more
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