17 citations · 17 across the 3 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2025
Pressure dependent structure of neat liquid methanol, CH3OH: molecular dynamics simulations with various united atom type potentials
Imre Bakó, László Pusztai, Orest Pizio
Molecular dynamics computer simulations have been conducted on neat liquid methanol, using three different united atom (three site) interatomic potentials: TraPPE [J. Phys. Chem. B…
physics.chem-ph2023★ 17 cited
Enhanced Hydrogen Bonding to Water Can Explain the Outstanding Solubility of \b{eta}-D-Glucose in Water
Imre Bakó, László Pusztai, Szilvia Pothoczki
Ab initio molecular dynamics (AIMD) simulations have been performed on aqueous solutions of four simple sugars, α-D-glucose, \b{eta}-D-glucose, α-D-mannose and α-D-galactose. Hydro…