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United-atom ionic liquid force fields

A united-atom force field based on GROMOS96 [148] was proposed by Micaelo et al. [105] for imidazolium-based ionic liquids. They used ab initio calculations at the HF/6-31G level of theory to obtain partial charges based on the single-step... [Pg.224]

United Atom Force Field for Imidazolium-Based Ionic Liquids. [Pg.492]

Liu Z, Wu X, Wang WA (2006) Novel united-atom force field for imidazolium-based ionic liquids. Phys Chem Chem Phys 8 1096-1104... [Pg.206]

See other pages where United-atom ionic liquid force fields is mentioned: [Pg.225]    [Pg.54]    [Pg.148]    [Pg.432]    [Pg.434]    [Pg.437]    [Pg.107]    [Pg.108]    [Pg.316]   
See also in sourсe #XX -- [ Pg.475 ]



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Atomic ionic

Atomic liquids

Atomic unite

Atomic units

Atoms/atomic units

Force, units

Ionic forces

Liquid atoms

Liquids forces

United Atom force fields

United atoms

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