A pairwise and two many-body models for water: Influence of nonpairwise effects upon the stability and geometry of (H2O)n cyclic (n=3–6) and cagelike (n=6

A pairwise and two many-body models for water: Influence of nonpairwise effects upon the stability and geometry of (H2O)n cyclic (n=3–6) and cagelike (n=6–20) clusters

Published:1997-12-01 Issue:21 Volume:107 Page:9105-9116
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:

Author:

Masella Michel¹,Flament Jean Pierre²

Affiliation:

1. Laboratoire des Mécanismes Réactionnels, CNRS (URA 1307), Département de Chimie, Ecole Polytechnique, 91128 Palaiseau Cedex, France

2. Laboratoire de Dynamique Moléculaire et Photonique, CNRS (URA 779), Centre d’Etude et de Recherche Lasers et Applications, Université de Lille-1, Bât. P5, 59655 Villeneuve d’Ascq Cedex, France

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference55 articles.

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3. U. Niesar, G. Corongiu, M. Huang, M. Dupuis, and E. Clementi, Int. J. Quantum Chem. Symp. 23, 421 (1989).IJQSDI0161-3642

4. S. S. Xantheas, J. Chem. Phys. 100, 7523 (1994).JCPSA60021-9606

5. C. E. Dykstra, J. Chem. Phys. 91, 6472 (1989).JCPSA60021-9606

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