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Overview of Hückel‐ and resonance‐theoretic approaches to π‐network polymers
Author(s) -
Klein D. J.,
Schmalz T. G.,
Seitz W. A.,
Hite G. E.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560280861
Subject(s) - hückel method , resonance (particle physics) , polymer , physics , statistical physics , computer science , nuclear magnetic resonance , quantum mechanics , molecule , molecular orbital
Various possible behaviors for a diversity of π‐network strips are considered, including long‐range‐ordering, Peierls‐type distortions, and solitonic excitations. Such novel features are shown to arise both in Hückel and resonance‐theoretic models. Qualitative correspondences between these complementary models are given in terms of formal propositions and a conjecture.