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Ab initio study of the hydration complexes of HCO−3

✍ Scribed by Yves Jean; François Volatron


Book ID
103663742
Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
673 KB
Volume
53
Category
Article
ISSN
0301-0104

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An ab initio study of the hydrated posit
✍ V.L. Bugaenko; V.L. Grishkin 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 284 KB

Ah initio calculations are presented for the hydration eneeJ\* of the positron. Tetrahedral molecular-dipole-oriented clusters e+(H,O), are considered. In performing these calculations, the Hartree-Fock MO LCAO SCF approximation \\ith the 4-31G split-valence basis set is used. The method \kas modifi