𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Cluster Models for Calcite Surfaces: Ab Initio Quantum Chemical Studies

✍ Scribed by Ruuska, Henna; Hirva, Pipsa; Pakkanen, Tapani A.

Book ID
119961161
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
162 KB
Volume
103
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Theoretical models for Ξ³-Al2O3 (110) sur
Theoretical models for Ξ³-Al2O3 (110) surface hydroxylation: An ab initio embedded cluster study
✍ Javier FernΓ‘ndez Sanz; Hasssan RabaΓ’; Flor M. Poveda; Antonio M. MΓ‘rquez; Carmen πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 250 KB

A theoretical analysis of β₯-Al O 110 surface hydroxylation based on 2 3 ab initio Hartree᎐Fock embedded cluster calculations was carried out. Both tetrahedral and octahedral Al sites were considered. These sites were modeled by a series of clusters of increasing size: Al O , Al O , and Al O , embedd