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Ab initio heats of formation of medium-sized hydrocarbons. 2. Use of second-order correlation energies

โœ Scribed by Disch, Raymond L.; Schulman, Jerome M.; Sabio, Michael L.

Book ID
120308756
Publisher
American Chemical Society
Year
1985
Tongue
English
Weight
387 KB
Volume
107
Category
Article
ISSN
0002-7863

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Ab-initio heats of formation of medium-s
Ab-initio heats of formation of medium-sized hydrocarbons. 4. Perhydrotriquinacene
โœ Jerome M. Schulman; Raymond L. Disch ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ French โš– 195 KB

The AHf of perhydrotriquinacene of isomerlzation computed by ab thermal effects. is obtained from that of adamantane and their enthalpy initio SCF methods, with corrections for zero-point and As molecular mechanics is increasingly employed in the study of molecular energetics, it is desirable to exa