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The dihydrogen-bonded complex XeH2–H2O

✍ Scribed by Lundell, Jan; Pettersson, Mika


Book ID
120864827
Publisher
Royal Society of Chemistry
Year
1999
Tongue
English
Weight
113 KB
Volume
1
Category
Article
ISSN
1463-9076

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Quantum chemical study of the hydrogen-b
✍ Jan Lundell; Sławomir Berski; Antti Lignell; Zdzisław Latajka 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 265 KB

A combined MP2 and DFT/B3LYP study of the HXeOH-H 2 O complex is presented. These computational methods have been used to extract information on the structural, energetical and vibrational properties of the complex. Additionally, we have applied anharmonic vibrational calculations based on the MP2-c