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Theoretical studies on the anisotropy of the first hyperpolarizabilities of one- and two-dimensional charge-transfer molecules: role of solvent polarity

✍ Scribed by Li, Hai-Peng; Han, Kui; Tang, Gang; Li, Ming-Xue; Shen, Xiao-Peng; Huang, Zhi-Min

Book ID
126585625
Publisher
Taylor and Francis Group
Year
2009
Tongue
English
Weight
277 KB
Volume
107
Category
Article
ISSN
0026-8976

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## Abstract Calculations of the dependence of ^13^C chemical shifts on the dielectric constant, Ο΅, of the medium are reported using the INDO/S parameterized version of Pople's method together with the solvaton model. Satisfactory agreement with the available experimental data is obtained. The rathe