Authors: Gutman, Ivan
Stevanović, Dragan 
Radenkovć, Slavko
Milosavljević, Svetlana
Cmiljanović, Nataša
Title: Dependence of the total π-electron energy on a large number of non-bonding molecular orbitals
Journal: Journal of the Serbian Chemical Society
Volume: 69
Issue: 10
First page: 777
Last page: 782
Issue Date: 1-Jan-2004
Rank: M23
ISSN: 0352-5139
DOI: 10.2298/JSC0410777G
Abstract: 
Using a recently developed method for computing the effect of non-bonding molecular orbitals (NBMOs) on the total π-electron energy (E), it was found that the dependence of E on the number n 0 of NBMOs is almost perfectly linear. We now show that this regularity remains valid for very large values of n 0 , in particular, to hold up to n 0 = 20.
Keywords: Chemical graph theory | Non-bonding molecular orbitals | Total π-electron energy
Publisher: Serbian Chemical Society

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