Browsing Kjemisk institutt by Author "Maschio, Lorenzo"

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  • Effect of Benzoic Acid as a Modulator in the Structure of UiO-66: An Experimental and Computational Study 
    Atzori, Cesare; Shearer, Greig Charles; Maschio, Lorenzo; Civalleri, Bartolomeo; Bonino, Francesca; Lamberti, Carlo; Svelle, Stian; Lillerud, Karl Petter; Bordiga, Silvia (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
    The identification and quantification of defects are undoubtedly thorough challenges in the characterization of “defect-engineered” metal–organic frameworks (MOFs). UiO-66, known for its exceptional stability and defect ...
  • Representation of the virtual space in extended systems – a correlation energy convergence study 
    Hansen, Audun Skau; Baardsen, Gustav; Rebolini, Elisa; Maschio, Lorenzo; Pedersen, Thomas Bondo (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
    We present an investigation of the convergence behaviour of the local second-order Møller-Plesset perturbation theory (MP2) correlation energy toward the canonical result for three insulating crystals with either projected ...