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Computational Chemical Graph Theory

Computational Chemical Graph Theory

Book (30 Jun 1991)

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Publisher's Synopsis

Based on the authors own work, this book presents a computer-oriented method for the enumeration and generation of certain classes of chemical structures. Founded on the N-tuple representation of a chemical structure, mathematical proof of the generality and uniqueness of the N-tuple structure is given via the lexicographic order.;The criterion of discrimination is the lexicographic maximum, and the authors discuss the acyclic and hexagonal structures. A critical review of the literature accompanies the text, which is well illustrated with block diagrams, computer programmes, and numerous tables containing useful numerical data for the classes of molecules considered.

Book information

ISBN: 9780131517394
Publisher: Ellis Horwood
Imprint: Ellis Horwood
Pub date:
DEWEY: 542
DEWEY edition: 20
Language: English
Number of pages: 278
Weight: -1g