𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density functional study of hydrogen-bonded systems: Energetic and vibrational features of some gas-phase adducts of hydrogen fluoride

✍ Scribed by B Civalleri; E Garrone; P Ugliengo


Book ID
114142715
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
226 KB
Volume
419
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Structure and vibrational dynamics of hy
✍ Katarina DemΕ‘ar; Jernej Stare; Janez Mavri πŸ“‚ Article πŸ“… 2007 πŸ› Elsevier Science 🌐 English βš– 379 KB

Nature of a short hydrogen bond in hydrogenbissulfate ion was studied by quantum-chemical methods. Isolated triple charged anion is predicted to be unstable on the Hartree-Fock and Density Functional Theory levels using Pople basis sets with the exception of some small-size basis sets. For stable st