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20212025
most citedÅngstrom depth resolution with chemical specificity at the liquid-vapor interface

11 citations · 27 across the 5 of their papers we have counts for

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physics.chem-ph2021

Piece-wise Multipole-expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes

Jakob Filser, Karsten Reuter, Harald Oberhofer

The multipole-expansion (MPE) model is an implicit solvation model used to efficiently incorporate solvent effects in quantum chemistry. Even within the recent direct approach, the…