Abstract
In the theory of total π-electron energy (E) an auxiliary quantity is defined via γ*=[n(2mn-E2)]/[2m(2m+n-2E)], where n and m denote the number of vertices and edges of the molecular graph. Within classes of structurally similar conjugated systems a very good linear correlation between γ* and n is observed, apparently contradicting to the way in which γ* (by definition) depends on n,m,E. We now establish the condition which E must satisfy, in order that γ* be a linear function of n: the condition for an exact linear relation between γ* and n is E=m.
Original language | English |
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Pages (from-to) | 95-98 |
Number of pages | 4 |
Journal | Chemical Physics Letters |
Volume | 349 |
Issue number | 1-2 |
DOIs | |
Publication status | Published - 23 Nov 2001 |
Externally published | Yes |