𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A Theoretical Study of the Hydration of Li+by Monte Carlo Simulations with Refined Ab Initio Based Model Potentials

✍ Scribed by María Luisa San-Román; Mauricio Carrillo-Tripp; Humberto Saint-Martin; Jorge Hernández-Cobos; Iván Ortega-Blake


Publisher
Springer
Year
2006
Tongue
English
Weight
508 KB
Volume
115
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Interaction of Ca2+ and Mg2+ with Ionoph
✍ Martin Welti; Ernö Pretsch; Enrico Clementi; Wilhelm Simon 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 German ⚖ 559 KB

## Abstract Atom pair potentials are obtained from __ab initio__ SCF‐LCAO‐MO calculations for model complexes of Mg^2+^ and Ca^2+^ with __N__, __N__‐dimethylacetamide, and malonamide. The SCF‐LCAO‐MO interaction energies for 271 complexes of Mg^2+^ and 271 complexes of Ca^2+^ with these amides were