Structural changes in the water tetramer. A combined Monte Carlo and DFT study
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2010/CP/C0CP00217H
Reference48 articles.
1. Global minima for water clusters (H2O)n, n⩽21, described by a five-site empirical potential
2. Global minima of water clusters (H2O)n, n≤21, described by an empirical potential
3. The parametrization of a Thole-type all-atom polarizable water model from first principles and its application to the study of water clusters (n=2–21) and the phonon spectrum of ice Ih
4. Pivot method for global optimization: a study of water clusters (H2O)N with 2⩽N⩽33
5. Global Geometry Optimization of Molecular Clusters: TIP4P Water
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