𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An Assessment of Theoretical Protocols for Calculation of the p K a Values of the Prototype Imidazolium Cation

✍ Scribed by Magill, Alison M.; Yates, Brian F.

Book ID
120008382
Publisher
Commonwealth Scientific and Industrial Research Organisation Publishing
Year
2004
Tongue
English
Weight
194 KB
Volume
57
Category
Article
ISSN
0004-9425

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Assessment of theoretical methods for th
Assessment of theoretical methods for the calculation of methyl cation affinities
✍ Y. Wei; T. Singer; H. Mayr; G. N. Sastry; H. Zipse πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 143 KB

## Abstract The methyl cation affinity (MCA; 298 K) of a variety of neutral and anionic bases has been examined computationally with a wide variety of theoretical methods. These include high‐level composite procedures such as W1, G3, G3B3, and G2, conventional __ab initio__ methods such as CCSD(T)