An application of flexible constraints in Monte Carlo simulations of the isobaric–isothermal ensemble of liquid water and ice Ih with the polarizable and flexible mobile charge densities in harmonic oscillators model-Reference-Cited by-同舟云学术

An application of flexible constraints in Monte Carlo simulations of the isobaric–isothermal ensemble of liquid water and ice Ih with the polarizable and flexible mobile charge densities in harmonic oscillators model

Published:2004-06-15 Issue:23 Volume:120 Page:11133-11143
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Saint-Martin Humberto,Hess Berk,Berendsen Herman J. C.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1747927

Reference99 articles.

1. A reappraisal of what we have learnt during three decades of computer simulations on water

2. The missing term in effective pair potentials

3. Comparison of simple potential functions for simulating liquid water

4. Derivation of an improved simple point charge model for liquid water: SPC/A and SPC/L

5. A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

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