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- 2014
- Reactivity of CO on carbon-covered cobalt surfaces in Fischer-Tropsch synthesis
- Triazolinediones enable ultrafast and reversible click chemistry for the design of dynamic polymer systems
- Tetravalent doping of CeO2: the impact of valence electron character on group IV dopant influence
- Ab initio based thermal property predictions at a low cost: an error analysis
- Reactivity of aziridinium salts in different solvents unraveled by a combined theoretical and experimental approach
- Au@UiO-66: a base free oxidation catalyst
- Extended Hirshfeld: atomic charges that combine accurate electrostatics with transferability
- DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)
- Radiation induced damage in biomolecules: an ab initio molecular dynamics study on crystalline α-L-rhamnose
- Determining the storage, availability and reactivity of NH3 within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems