Proceedings of the Polymer Society of Korea Conference (한국고분자학회:학술대회논문집)
- 2006.10a
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- Pages.230-230
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- 2006
DFT Calculations on the Wavelength Dispersion of Absorbance and Refractive Indices for Molecular Design of Photonic Polymers
- Ando, Shinji (Department of Organic & Polymeric Materials, Tokyo Institute of Technology)
- Published : 2006.10.13
Abstract
Density functional theory (DFT) calculations using the B3LYP hybrid functional and the 6-311++G(d,p) basis set have been performed to predict the wavelength dispersion of optical absorbance and refractive indices for organic compounds and polymers in the range between the vacuum UV (
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