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19962021
most citedAdaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir

180 citations · 421 across the 19 of their papers we have counts for

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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…