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A study of the Be2+—H2O system by means of ab initio calculations

✍ Scribed by Michael M. Probst; Jumras P. Limtrakul; Bernd M. Rode

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 512 KB
Volume: 132
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)80628-5

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✦ Synopsis

The Be2+-Hz0 system has been taken as an example in order to investigate the changes induced in water molecules on coordination. Pronounced changes in water geometry and vibrational frequencies are found. Optimised geometries of Bez+-water complejres are presented.

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