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Clusters of water and ammonia with excess electrons

✍ Scribed by Hellmut Haberland; Christoph Ludewigt; Hans-Georg Schindler; Douglas R. Worsnop


Publisher
Elsevier Science
Year
1985
Weight
58 KB
Volume
156
Category
Article
ISSN
0167-2584

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πŸ“œ SIMILAR VOLUMES


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The structure and energetics of stoichiometric (NaCl)n, 1 ~< n ~< 4, clusters, and of halide-deficient clusters in the sequence Na4Clm, 0 ~< m ~< 3, are studied using local-spin-density functional calculations, with and without exchange-correlation gradient corrections. The energy optimized structur

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## Abstract Electronic properties of H~2~O~2~(H~2~O)~1–6~ and (H~2~O)~1–7~ clusters are reported. Emphasis was placed on the changes induced by the presence of hydrogen peroxide on the electronic properties of water aggregates. Theoretical results for excitation energies as well as vertical and adi