4.3 Article

Structure and stability of AgXenZ (n=1-3, Z =-1, 0,+1) clusters. Theoretical insights

Journal

EUROPEAN PHYSICAL JOURNAL D
Volume 55, Issue 1, Pages 87-91

Publisher

SPRINGER
DOI: 10.1140/epjd/e2009-00214-6

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The structure and stability of AgXenZ (n = 1-3, Z = -1, 0, +1) cluster series at CCSD(T) theoretical level have been investigated. It is shown that the cations are more stable and have more compact geometries than the anions and neutrals. The role of the interaction was explained using the natural bond orbital (NBO) analysis.

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