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Valency-bond studies of some conjugated hydrocarbons - III: Calculations on heptalene

โœ Scribed by P. C. den Boer; D. H. W. den Boer; T. H. Goodwin


Book ID
104586827
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
161 KB
Volume
83
Category
Article
ISSN
0165-0513

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โœ Debashis Mukherjee ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 358 KB

## Abstract The energies of the singleโ€configuration lowest ฯ€ โ€“ ฯ€\* singlet and triplet states of some conjugated hydrocarbons have been calculated by the MCโ€SCF method using the conjugateโ€gradient technique of minimisation. The results are compared with those calculated by other methods currently