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The second virial coefficient of water and heavy water: a computational evaluation of the isotopic difference within the MCY-type semi-rigid potentials

✍ Scribed by ZdeněK Slanina


Book ID
103413405
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
528 KB
Volume
180
Category
Article
ISSN
0040-6031

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Isotopic difference in the water second
✍ Zdenĕk Slanina 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 470 KB

The BJH-and MCY-type water-water non-rigid potentials are used for evaluation ofthe isotopic difference in the second virial coefficient of light and heavy water. The potential energy term is adjusted to yield a best reproduction of the observed values of the energy difference. It has been found for