Journal of Chemical Physics, Vol.117, No.2, 706-708, 2002
Structure, electronic properties, and vibrational spectra of the water octamer with an extra electron: Ab initio study
The structure of the electron-water octamer has been investigated for the first time, using ab initio calculations. The lowest-energy conformer and the next lowest energy conformer are predicted to be the major and minor isomers with small and large vertical electron detachment energies. The binding energies and vibrational spectra are investigated.