Résultat(s) 1 - 6 résultats de 6 pour la requête 'Cammi, Roberto', Temps de recherche: 2,74s Affiner les résultats
  1. 1
    An algorithm for very high pressure molecular dynamics simulations
    Autres auteurs: “...Cammi, Roberto...”

    Article en ligne

  2. 2
    The second derivative of the electronic energy with respect to the compression scaling factor in the XP-PCM model Theory and applications to compression response functions of atoms

    Article en ligne

  3. 3
    The Role of Computational Chemistry in the Experimental Determination of the Dipole Moment of Molecules in Solution

    Article en ligne

  4. 4
    Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model

    Article en ligne

  5. 5
    A new extension of the polarizable continuum model Toward a quantum chemical description of chemical reactions at extreme high pressure

    Article en ligne

  6. 6
    New developments in the symmetry-adapted algorithm of the Polarizable Continuum Model
    Autres auteurs: “...Cammi, Roberto...”
    Article

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