Showing items with similar title or keywords.

• Selective Acrolein Hydrogenation over Ligand-Protected Gold Clusters : A Venus Flytrap Mechanism 

  Mammen, Nisha; Malola, Sami; Honkala, Karoliina; Häkkinen, Hannu (American Chemical Society (ACS), 2022)

  The catalytic partial hydrogenation of α,β-unsaturated aldehydes is an ideal reaction to understand the selectivity between two different functional groups Here the two functional groups are C═C and C═O, and the hydrogenation ...

• Chemoselective heterogeneous iridium catalyzed hydrogenation of cinnamalaniline 

  Savela, Risto; Shcherban, Nataliya D.; Melander, Marko M.; Bezverkhyy, Igor; Simakova, Irina L.; Långvik, Otto; Kholkina, Ekaterina; Schindler, Tamara; Krauβ, Annabelle; Honkala, Karoliina; Murzin, Dmitry Yu.; Leino, Reko (Royal Society of Chemistry, 2021)

  Selective hydrogenation of unsaturated imines over heterogeneous catalysts is an ecologically feasible and effective way to produce commercially valuable saturated imines and unsaturated amines under mild conditions, ...

• Ligand assisted hydrogenation of levulinic acid on Pt(111) from first principles calculations 

  Gell, Lars; Honkala, Karoliina (Royal Society of Chemistry, 2022)

  In this study, we investigate the hydrogenation reaction of levulinic acid to 4-hydroxypentanoic acid on ligand-modified Pt(111) using DFT. Modifying nanoparticle surfaces with ligands can have beneficial effects on the ...

• Oxidative Dehydrogenation of Ethanol on Gold : Combination of Kinetic Experiments and Computation Approach to Unravel the Reaction Mechanism 

  Behravesh, Erfan; Melander, Marko M.; Wärnå, Johan; Salmi, Tapio; Honkala, Karoliina; Murzin, Dmitry Yu. (Elsevier, 2021)

  Selective alcohol dehydrogenation on heterogeneous catalysts is a key industrial reaction for production of aldehydes, ketones, and carboxylic compounds. Design of catalysts with improved activity and selectivity requires ...

• 5-Carbonyl-1,3-oxazine-2,4-diones from N-Cyanosulfoximines and Meldrum’s Acid Derivatives 

  Brosge, Felix; Kochs, Johanne,s Florian; Bregu, Mariela; Truong, Khai-Nghi; Rissanen, Kari; Bolm, Carsten (American Chemical Society (ACS), 2020)

  At elevated temperatures, N-cyanosulfoximines react with Meldrum’s acid derivatives to give sulfoximines with N-bound 5-carbonyl-1,3-oxazine-2,4-dione groups. A representative product was characterized by single-crystal ...