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Quantum Theory of Polymers as Solids pp 53–88Cite as

Examples of Ab Initio Calculations on Quasi-One-Dimensional Polymers

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Abstract

This chapter presents some examples of the application of the ab initio crystal-orbital method described in Chapter 1. Though these applications range from the field of plastics (polyethylene and its fluoro derivatives) through highly conducting polymers [polyacetylenes and polydiacetylenes, (SN) x , TCNQ and TTF stacks] to biopolymers (homopolynucleotides and homopolypeptides), they are only illustrative. No attempt has been made to review the numerous other applications performed by the Namur group and by other researchers, as this would increase unduly the size of this book.

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    János J. Ladik

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Ladik, J.J. (1988). Examples of Ab Initio Calculations on Quasi-One-Dimensional Polymers. In: Quantum Theory of Polymers as Solids. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-5233-4_3

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