Electronic Resource
Springer
Theoretical chemistry accounts
73 (1988), S. 425-435
ISSN:
1432-2234
Keywords:
Graph theory
;
Polycyclic hydrocarbons
;
Holes in molecules
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The bual and laub operations are defined and shown to be a useful means of analysing and coordinating previous descriptions of polyhexes. Some implications of a polyhex having a hole are explored. The position of such molecules in the Dias periodic table is argued. Formulae for moments of the Hückel energy in terms of graphical invariants are derived. The change in π-electron energy when a hole is formed is calculated for some molecules.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00527746
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