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Ab initio molecular orbital calculations for boron isotope fractionations on boric acids and borates

โœ Scribed by Yun Liu; John A. Tossell


Book ID
116501701
Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
733 KB
Volume
69
Category
Article
ISSN
0016-7037

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Ab initio molecular orbital calculations
โœ Thomas P. Davis; Stephen C. Rogers ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 407 KB

## Abstract Ab initio molecular orbital calculations have been performed on the transition state for the addition of methyl radical to twelve vinyl monomers using the SV 3โ€“21G basis set. A linear relationship has been found between the calculated energies of activation and previously calculated ene