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Crystal Structure of Ammonia Monohydrate Phase II.

We have determined the crystal structure of ammonia monohydrate phase II (AMH II) employing a combination of ab initio computational structure prediction and structure solution from neutron powder diffraction data using direct space methods. Neutron powder diffraction data were collected from perdeu...

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Published in:Journal of the American Chemical Society Vol. 131; no. 37; pp. 13508 - 13516
Main Authors: Fortes, A. Dominic, Suard, Emmanuelle, Lemée-CaiIIeau, Marie-Hélëne, Pickard, Christopher J., Needs, Richard J.
Format: Article
Published: American Chemical Society 9/23/2009
Subjects:
Ammonia
Density functionals
Hydrogen bonding
Molecular structure
Institut Laue-Langevin (Grenoble, France)
Grenoble (France)
France
Online Access:View this record in EBSCOhost