output
19962025
most citedFirst-principles molecular dynamics simulations at solid-liquid interfaces with a continuum solvent

63 citations

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Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 1996 · chem-phShow all

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chem-ph1996★ 16 cited

Molecular dynamics study of solvation effects on acid dissociation in aprotic media

Daniel Laria, Raymond Kapral, Dario Estrin +1

Acid ionization in aprotic media is studied using Molecular Dynamics techniques. In particular, models for HCl ionization in acetonitrile and dimethylsulfoxide are investigated. Th…