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O6(g): The present state in computational evaluation of its thermodynamics

✍ Scribed by Zdeněk Slanina


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
520 KB
Volume
173
Category
Article
ISSN
0040-6031

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The present state of computational knowl
✍ Zdeněk Slanina 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 355 KB

The equilibrium has been studied between graphite and the C5 linear cluster, characterized by means of the most sophisticated available quantum-chemical data. For some combinations of theoretical parameters the agreement with the observed value of equilibrium constant is better than one order of mag