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...

وصف كامل

التفاصيل البيبلوغرافية
المؤلفون الرئيسيون: Gregory, J, Clary, D
التنسيق: Journal article
اللغة:English
منشور في: 1997