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Molecular dynamics study of the crystal structure and phase relation of the GeO2polymorphs

โœ Scribed by Taku Tsuchiya; Takamitsu Yamanaka; Masanori Matsui


Publisher
Springer-Verlag
Year
1998
Tongue
English
Weight
373 KB
Volume
25
Category
Article
ISSN
0342-1791

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Molecular dynamics study of the structur
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Molecular dynamics calculations of hydrated zinc ion show the formation of a stable octahedral hydration shell around the Zn 2รพ ion. The OH bond lengths in the octahedral molecules are longer than outside the shell by 0.02 A A and correspondingly the OH stretching modes are shifted downwards by abou