G4-SP, G4(MP2)-SP, G4-sc, and G4(MP2)-sc: Modifications to G4 and G4(MP2) for the Treatment of Medium-Sized Radicals
β Scribed by Chan, Bun; Coote, Michelle L.; Radom, Leo
- Book ID
- 125897905
- Publisher
- American Chemical Society
- Year
- 2010
- Tongue
- English
- Weight
- 920 KB
- Volume
- 6
- Category
- Article
- ISSN
- 1549-9618
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π SIMILAR VOLUMES
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
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