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• W2952395812 startingPage "123" @default.
• W2952395812 abstract "An empirical equation has been developed which reproduces bond dissociation energy (BDE) values for 65 common organic compounds with an average deviation of less than 0.6 kcal mol−1. The equation is where DH°(R-X)est is the bond strength to be estimated (for R = ethyl, sec-propyl or t-butyl); X is one of a wide variety of substituents; DH°(CH3-X)obs is the key experimentally measured (CH3-X) bond strength; m is the number of methyl groups substituted in CH3;Vx is the covalent potential; ΔVnb is the relief of steric strain between non-bonded atoms when the free radical pair is separated. The equation thus takes into account both inductive effects, related to a new scale of electronegativity, and structural effects." @default.
• W2952395812 created "2019-06-27" @default.
• W2952395812 creator A5019090382 @default.
• W2952395812 creator A5033583066 @default.
• W2952395812 date "1993-04-01" @default.
• W2952395812 modified "2023-09-30" @default.
• W2952395812 title "The prediction of bond dissociation energies for common organic compounds" @default.
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• W2952395812 doi "https://doi.org/10.1016/0166-1280(93)87069-p" @default.
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