𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An SCFab initioinvestigation of the “through-water” interaction of the phosphate anion with the Na+cation

✍ Scribed by Alberte Pullman; Bernard Pullman; Hélène Berthod

Publisher
Springer
Year
1978
Tongue
English
Weight
959 KB
Volume
47
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Quantum chemical study of the interactio
Quantum chemical study of the interaction of nitrate anion with water
✍ Christoph Ebner; Roland Sansone; Michael Probst 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 425 KB 👁 1 views

The interaction between nitrate anion and water has been investigated Ž . by Hartree᎐Fock calculations with the 6-311 q G d, p basis set and by B3LYP density functional calculations with the aug-cc-pVTZ basis set. It is found that the global energy minimum is a planar configuration where both hydrog