Browsing Det matematisk-naturvitenskapelige fakultet by Author "Balcells, David"

Now showing items 1-3 of 3

  • Deep learning metal complex properties with natural quantum graphs 
    Kneiding, Hannes; Lukin, Ruslan; Lang, Lucas; Reine, Simen; Pedersen, Thomas Bondo; De Bin, Riccardo; Balcells, David (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
    Machine learning can make a strong contribution to accelerating the discovery of transition metal complexes (TMC). These compounds will play a key role in the development of new technologies for which there is an urgent ...
  • Designing Pd and Ni Catalysts for Cross-Coupling Reactions by Minimizing Off-Cycle Species 
    Balcells, David; Nova, Ainara (Journal article / Tidsskriftartikkel / SubmittedVersion, 2018)
    This Perspective presents an overview on recent experimental and computational studies on the off-cycle reactions of palladium- and nickel-catalyzed cross-couplings. Several reactions entering or leaving the catalytic cycle ...
  • Synthesis, Characterization, and Reactivity of Cyclometalated Gold(III) Dihalide Complexes in Aqua Regia 
    Levchenko, Vladimir; Nova, Ainara; Øien-Ødegaard, Sigurd; Balcells, David; Tilset, Mats (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
    A range of N,C‐chelated, cyclometalated gold(III) complexes Au(ppyR)X2 have been prepared and characterized by spectroscopic, crystallographic, and computational means. Here, ppyH is 2‐phenylpyridine dicarboxylic acid ...