Blar i Institutt for kjemi på tidsskrift "Chemical Science"
Viser treff 1-2 av 2
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CO2 induced phase transitions in diamine-appended metal-organic frameworks
(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
(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 ...