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Theoretical vibrational study of the hydrogen-bonded complex FXF− (X=H OR D)

✍ Scribed by Y. Bouteiller; C. Mijoule

Book ID
113256937
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
489 KB
Volume
208
Category
Article
ISSN
0166-1280

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✍ Jan Lundell; Markku Räsänen; Zdzislaw Latajka 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 533 KB

Ab initio SCF and MP2 calculations have been performed on the structural and energetic properties of HsO-2C0. Three possible energy minima were found, all forming almost linear hydrogen bonds. The most stable species was observed when both carbon monoxide monomers were attached to water via the carb