Computer Modelling

2 Items

All Items

  • Molecular dynamics simulations of water-ethanol mixtures. I. Composition trends in thermodynamic properties

    D. Benavides Bautista, M. Aguilar, O. Pizio
    23201
    DOI: https://doi.org/10.5488/cmp.27.23201

  • The local structure, electronic and optical properties of Pb(Mg1/3Nb2/3)O3-PbTiO3: first-principles study

    M. Kovalenko, O. Bovgyra, V. Kapustianyk, O. Kozachenko
    23702
    DOI: https://doi.org/10.5488/cmp.27.23702