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Calculations on the Energies of Hydrocarbons

✍ Scribed by KYNCH, G. J.; LLOYD, E. H.; PENNEY, W. G.


Book ID
109533938
Publisher
Nature Publishing Group
Year
1940
Tongue
English
Weight
194 KB
Volume
145
Category
Article
ISSN
0028-0836

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πŸ“œ SIMILAR VOLUMES


A comparative calculation on excited sta
✍ Debashis Mukherjee πŸ“‚ Article πŸ“… 1974 πŸ› John Wiley and Sons 🌐 English βš– 358 KB

## Abstract The energies of the single‐configuration lowest Ο€ – Ο€\* singlet and triplet states of some conjugated hydrocarbons have been calculated by the MC‐SCF method using the conjugate‐gradient technique of minimisation. The results are compared with those calculated by other methods currently