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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 3, Number 2
BKCSDE 3(2)
February 20, 1982 

 
Title
Theoretical Study on Structures and Energetics of Small Water Clusters
Author
Yeong Jae Park, Young Kee Kang, Byoung Jip Yoon, Mu Shik Jhon
Keywords
Abstract
A study of small water clusters composed of two to seven molecules has been performed by using the revised empirical potential function for conformational analysis (REPFCA). Various structures of clusters have been investigated and the relative probability of cluster per molecule is discussed. In general, cyclic structures of water clusters are more favorable than open structures. It is found that cyclic pentamer is the most favorable unit structure in the water cluster.
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50 - 55
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