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Effect of 2 s Orbitals on the Electronic Hopping in Polyacetylene

โœ Scribed by Guo-ping, Tong


Book ID
118247156
Publisher
Institute of Physics
Year
1997
Tongue
English
Weight
235 KB
Volume
14
Category
Article
ISSN
0256-307X

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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