Title of article
Binding energies of germanium clusters, Gen (n = 2−5)
Author/Authors
Deutsch، نويسنده , , P.W. and Curtiss، نويسنده , , L.A. and Blaudeau، نويسنده , , J.P.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1997
Pages
6
From page
413
To page
418
Abstract
Gaussian-2 (G2) theory for third-row non-transition elements is used to calculate energies of germanium clusters, Gen (n = 2−5). The G2 energies are used to derive accurate binding energies for the clusters. The results for Ge2 and Ge3 are in agreement with experiment while there is some disagreement for Ge4 and Ge5. The binding energies are also calculated using the B3LYP density functional method with the 6–311 + G(3df,2p) basis set and compared with the G2 results and experiment.
Journal title
Chemical Physics Letters
Serial Year
1997
Journal title
Chemical Physics Letters
Record number
1780843
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