𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Carbon dioxide activation by La atom and La+ cation in the gas phase: A density functional theoretical study

✍ Scribed by Guo-Liang Dai; Chuan-Feng Wang

Book ID
108285971
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
845 KB
Volume
909
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Methane activation by chromium oxide cat
Methane activation by chromium oxide cations in the gas phase: A theoretical study
✍ Ivan Rivalta; Nino Russo; Emilia Sicilia πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 448 KB

## Abstract Density Functional Theory, in its B3LYP formulation, was used to explore quantitative details of the potential energy hypersurfaces for the Cο£ΏH bond activation reaction of methane by chromium dioxide cation. Both doublet ground and quartet excited states of the cation were considered, a

Activation of Carbon Dioxide by Coordina
Activation of Carbon Dioxide by Coordination with Cations in the Gas Phase: SiF-Mediated Coupling of CO2 and Aromatic CH Bonds
✍ Dr. Patrizio Cecchi; Dr. Maria Elisa Crestoni; Prof. Felice Grandinetti; Dr. Vit πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 381 KB πŸ‘ 2 views

COMMUNICATIONS 0.90 -0.80 -0.70 -0.60 -940.8 (3) A' , z = I , p =1.630 gcm-'. p = 2.032 mm-', crystal size 0.20 x 0.20 x 0.40 mm, F(000) = 480.0; 5531 unique reflections and 5468 assumed as observed with 1>2u(l). 268 parameters, R(F,) = 0.0461. R,IF,I\* = 0.1025 and S = 0.966. Crystallographic data