Spectral Moments of the Edge Adjacency Matrix in Molecular Graphs, 1. Definition and Applications to the Prediction of Physical Properties of Alkanes
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[1] Milan Randić,et al. Generalized molecular descriptors , 1991 .
[2] Milan Randic,et al. Search for all self-avoiding paths graphs for molecular graphs , 1979, Comput. Chem..
[3] Yuansheng Jiang,et al. Evaluation of moments and their application in Hückel molecular orbital theory , 1984 .
[4] R. D. Poshusta,et al. Graph-theoretic cluster expansions. Thermochemical properties for alkanes , 1990 .
[5] Zlatko Mihalić,et al. A graph-theoretical approach to structure-property relationships , 1992 .
[6] Milan Randic,et al. Use of self-avoiding paths for characterization of molecular graphs with multiple bonds , 1980, Comput. Chem..
[7] R. D. Poshusta,et al. Embedding frequencies of trees , 1989 .
[8] Alexandru T. Balaban,et al. A new approach for devising local graph invariants: Derived topological indices with low degeneracy and good correlation ability , 1987 .
[9] Decomposition of the total π-electron energy of polycyclic hydrocarbons into benzene ring increments , 1985 .
[10] Milan Randić,et al. A graph theoretical approach to structure-property and structure-activity correlations , 1980 .
[11] Sonja Nikolic,et al. Comparative study of molecular descriptors derived from the distance matrix , 1992, J. Chem. Inf. Comput. Sci..
[12] Milan Randic,et al. Random walks and their diagnostic value for characterization of atomic environment , 1980 .
[13] Douglas J. Klein,et al. Chemical graph-theoretical cluster expansion and diamagnetic susceptibility , 1992, J. Chem. Inf. Comput. Sci..
[14] P. Seybold,et al. Molecular modeling of the physical properties of the alkanes , 1988 .
[15] Harry P. Schultz,et al. Topological organic chemistry. 4. Graph theory, matrix permanents, and topological indices of alkanes , 1992, J. Chem. Inf. Comput. Sci..
[16] Jiri Pospichal,et al. Simple Construction of Embedding Frequencies of Trees and Rooted Trees , 1995, J. Chem. Inf. Comput. Sci..
[17] Milan Randic. Representation of molecular graphs by basic graphs , 1992, J. Chem. Inf. Comput. Sci..
[18] Fernando Bernardi,et al. Importance of nonbonded attraction in the stereochemistry of the SN2' reaction , 1975 .
[19] M. Randic. Novel graph theoretical approach to heteroatoms in quantitative structure—activity relationships , 1991 .
[20] N. Trinajstic. Chemical Graph Theory , 1992 .
[21] Alexandru T. Balaban,et al. Applications of graph theory in chemistry , 1985, J. Chem. Inf. Comput. Sci..
[22] M. Randic. Characterization of molecular branching , 1975 .