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Polarizability calculations in conjugated hydrocarbon chains

✍ Scribed by Morton-Blake, D.A.; Mura, M.E.


Book ID
123547990
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
538 KB
Volume
53
Category
Article
ISSN
0379-6779

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✍ Shin-ichirou Hayashi; Satoshi Yabushita; Akira Imamura πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 375 KB

Linear polarizabilities and third-order hyperpoiarizabilities in the side-chain direction are calculated using the ab initio coupled Hartree-Fock method on polyacetylene and its derivatives. From these calculations, it is found that hyperpolarizabilities become larger by interactions between the mai