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SCF MO calculations of tropone, tropolone and related compounds

โœ Scribed by Haruo Kuroda; Tosiyasu Kunii


Publisher
Springer
Year
1967
Tongue
English
Weight
525 KB
Volume
7
Category
Article
ISSN
1432-2234

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Ab initioLCAO-MO-SCF Calculation of chlo
โœ Herbert E. Popkie; Joyce J. Kaufman ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 577 KB

## Abstract __Ab initio__ LCAOโ€MOโ€SCF Gaussian basis function calculations have been performed for chlorpromazine and promazine. By prescreening for the size of the integrals before calculation, it was only necessary to calculate 12 million out of the possible 38.5 million integrals for chlorpromaz