𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Methyl Cation Affinities of Neutral and Anionic Maingroup-Element Hydrides: Trends Across the Periodic Table and Correlation with Proton Affinities

✍ Scribed by Mulder, R. Joshua; Guerra, Célia Fonseca; Bickelhaupt, F. Matthias


Book ID
120031343
Publisher
American Chemical Society
Year
2010
Tongue
English
Weight
510 KB
Volume
114
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Proton affinities of maingroup-element h
✍ Marcel Swart; Ernst Rösler; F. Matthias Bickelhaupt 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 233 KB

## Abstract We have carried out an extensive exploration of the gas‐phase basicity of archetypal neutral bases across the periodic system using the generalized gradient approximation (GGA) of the density functional theory (DFT) at BP86/QZ4P//BP86/TZ2P. First, we validate DFT as a reliable tool for