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AB initio many body perturbation theoretic study of small sodium clusters

✍ Scribed by A.K. Ray

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
510 KB
Volume
71
Category
Article
ISSN
0038-1098

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Ab initio calculations have been performed on gallium phosphate clusters: Ga(OH);, P(OH):, (HO),GaOP(OH), and Ga,P,O,(OH)s. The influences of the basis set and the level of theory on predicted configurations of the clusters are discussed. Calculated IR spectra have been analyzed and compared with e

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In the original article, several allusions to references have been omitted. They should be added as follows: On page 613, the first sentence should read: "Particularly good agreement has been found between the IR spectrum of the cycle and the experimental spectrum of GaPO,-M2 zeolite within the lowe