Dynamics of guest molecules
Article Abstract:
The 2H NMR spectra and 29Si, 1H, 13C and 2H spin-lattice relaxations in kaolinite and its intercalation compounds with formamide, formamide-N,N-d2, N-methylformamide and N,N-dimethylformamide were examined to study the dynamics of guest molecules. The spinning-lattice relaxation times and spectra were measured at different temperature conditions. Results showed that the interlayer guest molecules undergo librational motions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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Molecular dynamics simulations of liquid nitromethane
Article Abstract:
It has been possible to analyze a potential energy function with harmonic intramolecular and Lennard-Jones plus Coulombic intermolecular terms in molecular dynamics simulations of liquid nitromethane. It was established that the intermolecular interactions in liquid nitromethane at 1 atm are not extremely directional and site-specific.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
User Contributions:
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