Blar i Institutt for kjemi på tidsskrift "Chemical Science"

Viser treff 1-2 av 2

    • 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 ...

    • 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 ...