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Enthalpies of Formation and Strain of Chlorobenzoic Acids from Thermochemical Measurements and from ab Initio Calculations

✍ Scribed by Emel'yanenko, Vladimir N.; Strutynska, Agata; Verevkin, Sergey P.

Book ID: 126115929
Publisher: American Chemical Society
Year: 2005
Tongue: English
Weight: 109 KB
Volume: 109
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp045852q

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## Abstract Bond correlation energies ϵ(XY) have been derived by partitioning second‐order Rayleigh–Schrödinger–Møller–Plesset (RSMP) correlation energies. Values of ϵ(XY) depend on the type of bonding between atoms X and Y. They can be considered as comprising correlation energies of bond, lone, a