Substitution effects on the polarizability (α) and first hyperpolarizability (β) of all-trans hexatriene
Abstract Polarizability (α) and first hyperpolarizability (β) have been calculated for a set of substituted all-trans hexatriene NO2-linker-D compounds at TDHF and CPHF/6-31+G∗ levels of theory. Effects due to the nature of D/A pair type on the geometrical structural and the electrical proprieties a...
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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Springer
2010-10-01
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| Serie: | Journal of Saudi Chemical Society |
| Soggetti: | |
| Accesso online: | https://doi.org/10.1016/j.jscs.2010.09.010 |
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