Deuteron NMR relaxation methods including double quantum filtered (DQF) spectral analyses were examined to study the dynamics of benzene molecules adsorbed in faujasite-type zeolite. To describe the dynamics of benzene molecules, a modified cone model involving in-plane rotation, wobbling motion and
Quantum chemical calculation of Henry constants of diatomic molecules in faujasite-type zeolites
β Scribed by F. Tielens; W. Langenaeker; A. R. Ocakoglu; P. Geerlings
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 300 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0192-8651
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π SIMILAR VOLUMES
Ab initio calculations on H2 and N2 and on the same molecules in the presence of a Na+ cation are presented. The equilibrium configuration and the vibrational frequency shift due to the interaction are calculated. The potential energy surfaces are obtained by local osculatory interpolations and extr
## The topic of this paper is bipolar organic compounds containing both charged electron donor and electron acceptor groups interconnected by various kinds of bridges (-D-X-A ). Such betaines are subject to photoinduced intramolecular electron transfer (PIET), large change in dipole moment in the