Graph theoretical characterization and computer generation of certain carcinogenic benzenoid hydrocarbons and identification of bay regions

Author:

Balasubramanian K.,Kaufman Joyce J.,Koski Walter S.,Balaban Alexandru T.

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference15 articles.

1. (a) and Mutagenicity of Benzo(a)-pyrene Derivatives and the Description of a Quantum Mechanical Model Which Predicts the Ease of Carbonium Ion Formation from Diol Epoxides. in In-Vitro Activation in Mutagenesis Testing, and Eds., Elsevier, Amsterdam, 1976;

2. (b) private communication, October 1979.

3. Molecular calculations with the nonempiricalab initioMODPOT,VRDDO, andMODPOT/VRDDO procedures. IX. Carcinogenic benzo(a)pyrene and its metabolites using a MERGE technique

4. and Graphical Enumeration, Academic, New York, 1973.

5. The enumeration of tree-like polyhexes

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