𝔖 Bobbio Scriptorium
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Hexamers: From Covalently Bound Organic Structures to Hydrogen Bonded Water Clusters

✍ Scribed by Ralf Ludwig

Book ID
101355638
Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
170 KB
Volume
1
Category
Article
ISSN
1439-4235

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✦ Synopsis

Hexameric building blocks are found in a range of materials, such as hydrocarbons and water. Using water as a model compound, this Highlight identifies some of the important new results, from both the theoretical and experimental viewpoints, in the characterization of stable hexameric structures. The picture shows the most stable hexamer in the gas phase, the water "cage".

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Water cluster approach to study hydrogen
Water cluster approach to study hydrogen-bonded pattern in liquid water: Ab initio orientational defects in water hexamers and octamers
✍ Eugene S. Kryachko 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 695 KB

Fifteen different structures of the water hexamer found ab initio within ## Ž . the 6-311G d, p basis set in the interval of 1.75 kcalrmol above the global minimum represent an unprecedented wide range of conformational plasticity of liquid water. The present work also provides the first ab initi