𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Thermodynamic and ab initio calculations of chemisorption energies of ions

✍ Scribed by Harrell Sellers; E.M. Patrito; P.Paredes Olivera

Book ID
116068123
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
833 KB
Volume
356
Category
Article
ISSN
0039-6028

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πŸ“œ SIMILAR VOLUMES

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The energies of the hydrated I3r-ion for coordination numbers up to 4 hate been calculated with an ab initio hf0 method. The most favorable orientation is the ion-dipole one. in contrast to the H-bonded orientation for C17HaO) and F7HzO). The hydration energies cafcufa~ed in this study are in fair

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✍ J. P. Daudey; P. Claverie; J. P. Malrieu πŸ“‚ Article πŸ“… 1974 πŸ› John Wiley and Sons 🌐 English βš– 794 KB

## Abstract Starting from a knowledge of approximate wave functions of the isolated molecules (or atoms) A and B, a method is proposed to build up a zeroth‐order ground state and excited configurations for the complex AB in which the molecular orbitals keep their local significance. The standard Ra