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Calculations on crystal defects in trans-polyacetylene

✍ Scribed by Pressl, K.; Aichholzer, K.D.; Leising, G.; Kahlert, H.


Book ID
123271985
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
262 KB
Volume
57
Category
Article
ISSN
0379-6779

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πŸ“œ SIMILAR VOLUMES


Defect states in trans-polyacetylene
✍ J.P. Albert; C. Jouanin πŸ“‚ Article πŸ“… 1983 πŸ› Elsevier Science 🌐 English βš– 365 KB
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✍ E. B. Starikov πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 275 KB

Ab initio Hartree᎐Fock crystal orbital quantum chemical calculations on various structural models of three-dimensional crystals of trans-polyacetylene and polythiophene were carried out. The results provide insight into the actual structure and symmetry of the crystalline polymers under study, which