AB INITIO STRUCTURE DETERMINATION OF GAS HYDRATES AND REFINEMENT OF GUEST MOLECULE POSITIONS BY POWDER X-RAY DIFFRACTION

AB INITIO STRUCTURE DETERMINATION OF GAS HYDRATES AND REFINEMENT OF GUEST MOLECULE POSITIONS BY POWDER X-RAY DIFFRACTION

Structure determination of powdered crystals is still not a trivial task. For gas hydrates, the difficulty lies in how to determine the rotational disorder and cage occupancies of the guest molecules without other supporting information or constraints because the complexity of the problem for the po...

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Bibliographic Details
Main Authors: Takeya, Satoshi, Udachin, Konstantin A., Ripmeester, John A.
Language:English
Published: 2008
Subjects:
ab initio
clathrate
direct-space method
hydrate
powder x-ray diffraction
ICGH 2008
International Conference on Gas Hydrates 2008
Online Access:http://hdl.handle.net/2429/1092

Internet

http://hdl.handle.net/2429/1092

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