• CO2 induced phase transitions in diamine-appended metal-organic frameworks 

      Vlaisavljevich, Bess; Odoh, Samuel O.; Schnell, Sondre Kvalvåg; Dzubak, Allison L.; Lee, Kyuho; Planas, Nora; Neaton, Jeffrey B.; Gagliardi, Laura; Smit, Berend (Journal article; Peer reviewed, 2015)
      Using a combination of density functional theory and lattice models, we study the effect of CO2 adsorption in an amine functionalized metal organic framework. These materials exhibit a step in the adsorption isotherm ...
    • Large breathing effect induced by water sorption in a remarkably stable nonporous cyanide-bridged coordination polymer 

      Magott, Michał; Gaweł, Bartłomiej; Sarewicz, Marcin; Reczyński, Mateusz; Ogorzały, Karolina; Makowski, Wacław; Pinkowicz, Dawid (Journal article; Peer reviewed, 2021)
    • Symmetry of three-center, four-electron bonds 

      Holta, Ann Christin Reiersølmoen; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar; Fiksdahl, Anne; Lindh, Roland; Erdélyi, Máté (Peer reviewed; Journal article, 2020)
      Three-center, four-electron bonds provide unusually strong interactions; however, their nature remains ununderstood. Investigations of the strength, symmetry and the covalent versus electrostatic character of three-center ...
    • Water as a monomer: synthesis of an aliphatic polyethersulfone from divinyl sulfone and water 

      Ratzenböck, Karin; Din, Mir Mehraj Ud; Fischer, Susanne; Zagar, Ema; Pahovnik, David; Bose, Daniel; Rettenwander, Daniel; Slugovc, Christian (Peer reviewed; Journal article, 2022)
      Using water as a monomer in polymerization reactions presents a unique and exquisite strategy towards more sustainable chemistry. Herein, the feasibility thereof is demonstrated by the introduction of the oxa-Michael ...