2 papers
cond-mat.soft2020
Water Assisted Proton Transport in Confined Nanochannels
Xinyou Ma, Chenghan Li, Alex B. F. Martinson +1
Hydrated excess protons under hydrophobic confinement are a critical component of charge transport behavior and reactivity in nanoporous materials and biomolecular systems. Herein…
physics.chem-ph2018
A quantum mechanical insight into SN2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl--CHCl pre-reaction complex with the VENUS suite of codes
X. Ma, G. Di Liberto, R. Conte +2
The role of vibrational excitation of reactants in driving reactions involving polyatomic species has been often studied by means of classical or quasi-classical trajectory simulat…