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On the generalized approach to the structure count (1986)

Ruščić, B. ; Trinajstić, N. ; Křivka, P.

Springer

Theoretical chemistry accounts 69 (1986), S. 107-117

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ISSN: 1432-2234

Keywords: Graph theory ; Acyclic polynomial, coefficients of ; structure count ; Sachs graphs ; Kekulé structures ; Dewar structures ; Biradicals ; Radical-cations ; Canonical structures

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract A generalized approach to the structure count of n-radical-m-cation systems based on the properties of the acyclic polynomial is presented. The mathematical proof for the expression relating the structure count to the coefficients of the acyclic polynomial is given. The connection between the structure count of biradical structures and the number of Dewar structures is discussed and tested on some examples.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00527683

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