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Refractive Index of Liquid Mixtures: Theory and Experiment

✍ Scribed by Prof. João Carlos R. Reis; Prof. Isabel M. S. Lampreia; Prof. Ângela F. S. Santos; Prof. Maria Luísa C. J. Moita; Dr. Gérard Douhéret

Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
374 KB
Volume
11
Category
Article
ISSN
1439-4235

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Prediction of refractive index of vinyl
Prediction of refractive index of vinyl polymers by using density functional theory
✍ Xinliang Yu; Bing Yi; Xueye Wang 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 143 KB

## Abstract Density functional theory (DFT) calculations were carried out in the prediction of refractive index (__n__) of vinyl polymers at the B3LYP/6‐31G(d) level. A set of quantum chemical descriptors calculated from monomers of polymers, the energy of the lowest unoccupied molecular orbital __