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Internal charge repulsion model

For example, suppose one can choose a rigid three-point-charge model of water with an internal geometry of 109.47° and 100 pm for the HOH angle and OH distance, respectively. The interaction energy involves a Lennard-Jones 6-12 potential for electrostatic interactions between water-water and ion-water pairs, (/pair a nonadditive polarization energy, C/pg, and a term that includes exchange repulsion for ion-water and water-water pairs,... [Pg.155]

See other pages where Internal charge repulsion model is mentioned: [Pg.400]    [Pg.491]    [Pg.118]    [Pg.141]    [Pg.877]    [Pg.89]    [Pg.128]    [Pg.484]    [Pg.514]    [Pg.79]    [Pg.697]    [Pg.34]    [Pg.135]    [Pg.229]    [Pg.234]    [Pg.157]    [Pg.146]    [Pg.166]    [Pg.168]    [Pg.101]    [Pg.300]    [Pg.329]    [Pg.353]    [Pg.615]    [Pg.455]    [Pg.538]    [Pg.114]    [Pg.198]    [Pg.1600]   
See also in sourсe #XX -- [ Pg.400 ]



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Internal model

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Repulsive model

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