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Refractive indices of liquid-forming organic compounds by density functional theory

✍ Scribed by Sung Soo Park; Sanghun Lee; Jae Young Bae; Frank Hagelberg


Book ID
113554941
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
522 KB
Volume
511
Category
Article
ISSN
0009-2614

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Prediction of refractive index of vinyl
✍ Xinliang Yu; Bing Yi; Xueye Wang πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 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 __