Electron affinities of germanium anion clusters, Ge-n(-) (n=2-5)

Citation
Pw. Deutsch et al., Electron affinities of germanium anion clusters, Ge-n(-) (n=2-5), CHEM P LETT, 344(1-2), 2001, pp. 101-106
Citations number
29
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
344
Issue
1-2
Year of publication
2001
Pages
101 - 106
Database
ISI
SICI code
0009-2614(20010817)344:1-2<101:EAOGAC>2.0.ZU;2-2
Abstract
Gaussian-2 (G2) theory for third-row non-transition elements is used to cal culate accurate electron affinities of germanium clusters, Ge-n (n = 2-5). The results for n = 2-4 are in agreement with experiment while there is som e disagreement for Ge-5, The electron affinities are also calculated using G2 theory modified by adding a diffuse function to the basis set for MP2 ge ometry optimizations and using the B3LYP density functional method with the 6-311 +G(3df,2p) basis set. (C) 2001 Published by Elsevier Science B.V.