𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio study of the isocyanate surface complex over silica and alumina

✍ Scribed by R.M Ferullo; M.M Branda; G.R Garda; N.J Castellani

Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
104 KB
Volume
167
Category
Article
ISSN
1381-1169

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Ab Initio Study of the Charge-Transfer C
Ab Initio Study of the Charge-Transfer Complex of Xenon and Dicarbon
✍ JΓΌrgen Breidung; Walter Thiel πŸ“‚ Article πŸ“… 2002 πŸ› Elsevier Science 🌐 English βš– 89 KB

## IN HONOR OF PROFESSOR HANS B ÜRGER FOR HIS MANY CONTRIBUTIONS TO SCIENCE Correlated ab initio calculations with large basis sets are reported for C 2 Xe. The complex has a linear structure and a considerable dipole moment due to charge transfer from xenon to dicarbon. The CXe interatomic potent

Ab initio molecular orbital studies of t
Ab initio molecular orbital studies of the structure and potential energy surface of the LiAlF4 complex
✍ L.A. Curtiss πŸ“‚ Article πŸ“… 1979 πŸ› Elsevier Science 🌐 English βš– 653 KB

Ab initio moIecular orbital cakulations ha\e been carried out on various structures of the LiAlF4 complex using minimal and extended basis sets. A C2v structure u ith two fluorines in the bridge was found to be more stable than structures with one and three fluorines in the bridge\_ Migration of the