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Collecting high-order interactions in an effective pairwise intermolecular potential using the hydrated ion concept: The hydration of Cf3+

 

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Opened Access Collecting high-order interactions in an effective pairwise intermolecular potential using the hydrated ion concept: The hydration of Cf3+
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Author: Galbis Fuster, Elsa
Hernández Cobos, Jorge
Papalardo, R.
Sánchez Marcos, Enrique
Department: Universidad de Sevilla. Departamento de Química Orgánica y Farmacéutica
Date: 2014
Published in: Journal of Chemical Physics, 140 (21), 214104-.
Document type: Article
Abstract: This work proposes a new methodology to build interaction potentials between a highly charged metal cation and water molecules. These potentials, which can be used in classical computer simu- lations, have been fitted to reproduce quantum mechanical...
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Cite: Galbis Fuster, E., Hernández Cobos, J., Papalardo, R. y Sánchez Marcos, E. (2014). Collecting high-order interactions in an effective pairwise intermolecular potential using the hydrated ion concept: The hydration of Cf3+. Journal of Chemical Physics, 140 (21), 214104-.
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Format: PDF

URI: http://hdl.handle.net/11441/46773

DOI: 10.1063/1.4879549

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