COMPUTATIONAL CHARACTERIZATION OF 13C NMR LINESHAPES OF CARBON DIOXIDE IN STRUCTURE I CLATHRATE HYDRATES
Nonspherical large cages in structure I (sI) clathrates impose non-uniform motion of nonspherical guest molecules and anisotropic lineshapes in NMR spectra of the guest. In this work, we calculate the lineshape anisotropy of the linear CO2 molecule in large sI clathrate cages based on molecular dyna...
| Main Authors: | , , |
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| Language: | English |
| Published: |
2008
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| Subjects: | |
| Online Access: | http://hdl.handle.net/2429/1276 |