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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 24, Number 6
BKCSDE 24(6)
June 20, 2003 

 
Title
Thermodynamics of Small Electron-Bound Water Clusters
Author
Sik Lee, Han Myoung Lee†
Keywords
Solvated electron, Electron-bound water cluster, Electron-water clusters, Thermodynamics, Vertical-electron detachment energy
Abstract
The relative stabilities of weak binding clusters are sensitive to temperature due to the entropy effect. Thus, here we report significant changes in relative stabilities between two low-energy electron-water trimer structures and those between three low-energy electron-water pentamer structures, as the temperature increases. The trimer and pentamer show structural changes around 200 K.
Page
802 - 804
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