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Effect of random doping on the electronic spectrum in trans-polyacetylene

โœ Scribed by W.P. Su

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
164 KB
Volume
47
Category
Article
ISSN
0038-1098

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โœ Lioudmila Fomina; Patricia Ponce; Patricia Guadarrama; Serguei Fomine ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 67 KB ๐Ÿ‘ 2 views

Quantum mechanics calculations at B3LYP/6-31G (d)//HF/3-21G (d) level of the theory were carried out on second generation dendritic polyacetylenic oligomers bearing different terminal groups to clarify the impact of their nature on the electronic structure of hyperbranched polyacetylene. It was foun