𝔖 Bobbio Scriptorium
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Calculation of some atomic localization energies of various polycyclic hydrocarbons

✍ Scribed by G. Biczó; J. Ladik; F. Tüdős; T. A. Berezsnich


Book ID
112998587
Publisher
Springer-Verlag
Year
1963
Weight
220 KB
Volume
16
Category
Article
ISSN
0001-6705

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A comparative calculation on excited sta
✍ Debashis Mukherjee 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 358 KB

## Abstract The energies of the single‐configuration lowest π – π\* 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