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Mechanism governing the motion of H3O+and OH−ions in ice and water

✍ Scribed by G. N. Zatsepina

Book ID
104923118
Publisher
SP MAIK Nauka/Interperiodica
Year
1969
Tongue
English
Weight
484 KB
Volume
10
Category
Article
ISSN
0022-4766

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📜 SIMILAR VOLUMES

Models for the description of the H3O+ a
Models for the description of the H3O+ and OH? ions in water
✍ Siegbahn, Per E. M. 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 875 KB

Structures of the H,O+-OHion pair surrounded by up to three water molecules have been studied. Since the ion-pair structure is always above the corresponding neutral water structure, a constrained geometry optimization is needed. The energy difference between the ion-pair structure and the neutral w

Ab initio study of the reaction mechanis
Ab initio study of the reaction mechanism of water dissociation into the ionic species OH− and H3O+
✍ R. Cárdenas; J. Lagúnez-Otero; A. Flores-Rivero 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 175 KB 👁 2 views

A reaction mechanism of water dissociation is proposed where solvent effects are accounted for via a minimum stable model that considers the interaction of Ž . five water molecules. It is based on the fully self-consistent field SCF optimized structures of the reactant, product, and transition state