Affiliation:
1. Faculty of Chemistry and Chemical Engineering, "Babes-Bolyai" University, 3400 Cluj, Romania
Abstract
Construction of periodic fulleroids (including covering polygons other than the classical pentagons and hexagons) is achieved by several coupling procedures. A constitutive typing enumeration for topologically periodic fulleroids is given. π-electronic periodicity of several series of tubulenes is rationalized in terms of some "rules of thumb". The strain energy of these nonplanar molecules was evaluated from the pyramidalization angles of the sp2 carbon atoms by the POAV1 procedure. Semiempirical PM3 calculations support the presented spectral data.
Publisher
World Scientific Pub Co Pte Lt
Subject
Electrical and Electronic Engineering,Computer Science Applications,Condensed Matter Physics,General Materials Science,Bioengineering,Biotechnology
Cited by
4 articles.
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