화학공학소재연구정보센터
Macromolecular Research, Vol.13, No.3, 176-179, June, 2005
Preparatino of Nanoporous Poly(methyl silsesquioxane) Thin Films Derived from Chemically Linked Carbon Cages
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  19. The calculation of bond dissociation energy (BDE) was performed at B3LYP/6-311+G(3df,2p) level using optimized geometries at the B3LYP/6-31G(d) level, B3LYP/6-311+G(3df,2p)//B3LYP/6-31G(d). All the calculations were preformed with the Gaussian 98 program. The estimated results show that the C6H5O-R bond has the lowest BDE of 53.3 kcal/mol, which is in good agreement with the previous results.20
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  24. Porous structure of the films was further investigated using the nitrogen adsorption isotherm. For the measurement, spin-coated films were cured at 450℃ and scraped off the substrate to yield powder specimens. All the isotherms show the typical Type I isotherms with unclosed hysteresis, representing microporous materials with pores below 5 nm.