𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Calculation of Proton Affinities Using the G2(MP2,SVP) Procedure

✍ Scribed by Smith, Brian J.; Radom, Leo

Book ID
115476517
Publisher
American Chemical Society
Year
1995
Tongue
English
Weight
437 KB
Volume
99
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Gas-phase acidities: a comparison of den
Gas-phase acidities: a comparison of density functional, MP2, MP4, F4, G2(MP2, SVP), G2(MP2) and G2 procedures
✍ Brian J. Smith; Leo Radom πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 411 KB

A comparison of several methods for calculating gas-phase acidities is reported. Methods examined include density functional theory with the B-LYP, B-P86, B3-LYP and B3-P86 non-local functionals, second-order [MP2] and fourth-order [MP4] Moller-Plesset and fourth-order Feenberg [F4] theories, quadra

An evaluation of the performance of dens
An evaluation of the performance of density functional theory, MP2, MP4, F4, G2(MP2) and G2 procedures in predicting gas-phase proton affinities
✍ Brian J. Smith; Leo Radom πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 590 KB

The performance of a variety of procedures in calculating gas-phase proton affinities has been assessed. Methods examined include density functional theory with the B-LYP and Becke3-LYP non-local functionals, second-order (MP2) and fourth-order (MP4) Moller-Plesset and fourth-order Feenberg (F4) the