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The electronic structure and stabilities of the symmetric gas phase anion clusters of hydrogen fluoride

โœ Scribed by Q Zhang; R.E Brown

Book ID
114141065
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
215 KB
Volume
527
Category
Article
ISSN
0166-1280

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A systematic study of the electronic structure of the H;-anion has been carried out using both perturbation theory and contiguration interaction. Counterpoise corrections are used to estimate the basis set superposition error in the computed dissociation energy. We find that H, is not thermodynamica