Theoretical study of the cage water hexamer structure

We present a theoretical examination of the structures and dynamics of a "cage" form of the water hexamer which has recently been observed experimentally. A thorough examination with one of the best many-body water potentials is used to characterize minima, transition states, and reaction...

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Bibliografiska uppgifter
Huvudupphovsmän: Gregory, J, Clary, D
Materialtyp: Journal article
Språk:English
Publicerad: 1997