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Calculation of the enthalpy of formation of polyatomic molecules in the CNDO/2 approximation

โœ Scribed by A. V. Belik; S. K. Bakeeva; V. A. Shlyapochnikov


Book ID
112440010
Publisher
Springer
Year
1978
Tongue
English
Weight
221 KB
Volume
27
Category
Article
ISSN
1573-9171

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CNDO calculation of the diamagnetic susc
โœ A. Boucekkine ๐Ÿ“‚ Article ๐Ÿ“… 1980 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 229 KB

## Abstract We present the results obtained within the CNDO/2 method for the diamagnetic susceptibilities of a series of conjugated molecules including benzene, fulvene, pyridine, pyrrole, and furan. The calculations have been carried out, according to Bley's method, in the framework of coupled Har