Molecular dynamics simulation with atomic partial charges update of erythtrol in water
Molecular dynamics simulation with atomic partial charges update of erythtrol in water is a scholarly work, published in 1998 in ''Computational and Theoretical Chemistry''. The main subjects of the publication include water model, charge density, atomic physics, physics, proton-coupled electron transfer, statistical physics, chemical physics, charge, series, Atom, partial charge, computational chemistry, dynamics, hydrogen bond, molecular dynamics simulation, chemistry, and quantum biology. Some properties are almost independent of the charge assignment but others show a distinct behaviour depending on whether the charges remain fixed or are updated.