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G4-SP, G4(MP2)-SP, G4-sc, and G4(MP2)-sc: Modifications to G4 and G4(MP2) for the Treatment of Medium-Sized Radicals

✍ 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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