An open source software package for simulating thermal neutron propagation in geometry is presented. In this system, neutron propagation can be treated by either the particle transport method or the r
Protonated water clusters that are hydrogen-bonded to a neutral benzene molecule are a reductionist model for protons at hydrophobic surfaces, which are of fundamental importance in biological energy
Infrared, X-ray structural, 1H NMR, and computational evidence for π-solvation of H3O+ by benzene molecules is presented. A salt with a discrete [H3O·3benzene]+ cation can be isolated using a very wea
Investigating properties of both heavy and light water at the atomistic level is essential to understanding chemical and biological processes in aqueous solution. However, appropriately describing the
