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Heats of formation of organic radicals from appearance energies

✍ Scribed by John L. Holmes; F.P. Lossing

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
454 KB
Volume
58
Category
Article
ISSN
0168-1176

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πŸ“œ SIMILAR VOLUMES

Thermochemical data from ab initio calcu
Thermochemical data from ab initio calculations. II. Total correlation energies, SchrΓΆdinger energies, and theoretical heats of formation
✍ Dieter Cremer πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 986 KB

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