𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Study of the Hydroxyl Ion in Water. A Combined Quantum Chemical and Statistical Mechanical Treatment

✍ Scribed by Hermida-Ramón, Jose Manuel; Karlström, Gunnar


Book ID
127364718
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
79 KB
Volume
107
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Tl(I)-the strongest structure-breaking m
✍ Viwat Vchirawongkwin; Thomas S. Hofer; Bernhard R. Randolf; Bernd M. Rode 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 334 KB 👁 1 views

## Abstract Structural and dynamical properties of the Tl(I) ion in dilute aqueous solution have been investigated by __ab initio__ quantum mechanics in combination with molecular mechanics. The first shell plus a part of the second shell were treated by quantum mechanics at Hartree‐Fock level, the