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Extrapolation to the infinite length limit of polymer energies. I. Hückel approximation (1990)

Evangelisti, Stefano

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 92 (1990), S. 4383-4386

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: A method to extrapolate the energy of polymers (in the Hückel approximation) as a function of the number of monomers is presented. The method can be used to obtain the energy per monomer of the infinite chain, and test computations are presented. They show good results even in presence of a strongly oscillating behavior of the finite polymer energies.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.457747

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