The 3-Attractor Water Model: Monte-Carlo Simulations with a New, Effective 2-Body Potential (BMW)

The 3-Attractor Water Model: Monte-Carlo Simulations with a New, Effective 2-Body Potential (BMW)

According to the precepts of the 3-attractor (3-A) water model, effective 2-body water potentials should feature as local minima the bifurcated and inverted water dimers in addition to the well-known linear water dimer global minimum. In order to test the 3-A model, a new pair wise effective intermo...

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Bibliographic Details
Main Authors: Francis Muguet, Svetlana V. Davletbaeva, Yuri G. Bushuev
Format: Article
Language:English
Published: MDPI AG 2003-02-01
Series:Molecules
Subjects:
water
supercritical water
Monte-Carlo simulation
water structure
intermolecular interactions
water potential
radial distribution function
neutron diffraction
Online Access:http://www.mdpi.com/1420-3049/8/2/226/

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