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Band structure of nonclassical polymers (1983)

Tyutyulkov, Nikolai ; Schuster, Peter ; Polansky, Oskar

Springer

Theoretical chemistry accounts 63 (1983), S. 291-304

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ISSN: 1432-2234

Keywords: Nonclassical polymers ; Band structure of ∼ ; Ferrimagnetic state of ∼

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract It is shown that fully conjugated alternant nonclassical polymers are comparatively stable systems as a result of the considerable delocalisation energy. The energy characteristics of the polymers are strongly determined by the electron spin distribution of the degenerate nonbonding molecular orbitals; the full spin configuration,S〉0, is favoured. The spin densities depend on the electron correlation and alternate; this corresponds to a ferrimagnetic state of the polymer at 0°K.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF01151606

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