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...

Полное описание

Библиографические подробности
Главные авторы: Gregory, J, Clary, D
Формат: Journal article
Язык:English
Опубликовано: 1997