Molecular Modeling of Adsorption in Carbon Nanotubes
✍ Scribed by T. Düren; F. J. Keil
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- English
- Weight
- 233 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0930-7516
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It should be noted that the intensity of the methyl (±CH 3 ) band around 2956±2959 cm ±1 depends on the location of the ±CH 3 moieties in the film, the absorbance of overlayer-covered methyl groups being considerably weaker than that of methyls exposed at the outer film surface [2]. For this reason,
After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest