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Accurate ground-state potential energy surfaces of the C 2 H 2 –Kr and C 2 H 2 –Xe van der Waals complexes

✍ Scribed by Lauzin, C.; Cauët, E.; Demaison, J.; Herman, M.; Stoll, H.; Liévin, J.


Book ID
120037202
Publisher
Taylor and Francis Group
Year
2012
Tongue
English
Weight
678 KB
Volume
110
Category
Article
ISSN
0026-8976

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Ab initio investigation of the potential
✍ Gernot Frenking; Wolfram Koch; Michael Schaale 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 757 KB

Ab initio MO calculations have been performed for neutral and cationic CzHzFz structures. Olefinic and carbene structures are investigated for the neutral isomers, while olefinic, carbene, and fluoronium-type cations are found. Stability orders and rotational barriers are discussed in terms of orbit