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2017

Exploring the origins of selectivity in soluble epoxide hydrolase fromBacillus megaterium

Authors: Eila Serrano-Hervás, Marc Garcia-Borràs, Sílvia Osuna

Organic & Biomolecular Chemistry, 2017, 15, 41, 8827-8835

DOI: 10.1039/c7ob01847a

Keywords: Catalysis, Computational chemistry, Enzyme design, Reaction mechanisms

Inducing high activity of a thermophilic enzyme at ambient temperatures by directed evolution

Authors: Guangyue Li, Miguel A. Maria-Solano, Adrian Romero-Rivera, Sílvia Osuna, Manfred T. Reetz

Chemical Communications, 2017, 53, 68, 9454-9457

DOI: 10.1039/c7cc05377k

Keywords: Catalysis, Computational chemistry, Enzyme design, Sustainable catalysis

2016

Orthogonal Discrimination among Functional Groups in Ullmann-Type C–O and C–N Couplings

Authors: Mireia Rovira, Marta Soler, Imma Güell, Ming-Zheng Wang, Laura Gómez, Xavi Ribas

The Journal of Organic Chemistry, 2016, 81, 17, 7315-7325

DOI: 10.1021/acs.joc.6b01035

Keywords: Catalysis, Cross-coupling reactions, Organometallics

2014

Dynamics of the NbCl5‐Catalyzed Cycloaddition of Propylene Oxide and CO2: Assessing the Dual Role of the Nucleophilic Co‐Catalysts

Authors: Valerio D'Elia, Amylia A. Ghani, Antoine Monassier, Julien Sofack‐Kreutzer, Jeremie D. A. Pelletier, Markus Drees, Sai V. C. Vummaleti, Albert Poater, Luigi Cavallo, Mirza Cokoja, Jean‐Marie Basset, Fritz. E. Kühn

Chemistry – A European Journal, 2014, 20, 37, 11870-11882

DOI: 10.1002/chem.201400324

Keywords: Catalysis, Chemical bonding, Computational chemistry, Reaction mechanisms, Sustainable catalysis

2004

Water-catalyzed isomerization of the glycine radical cation. From hydrogen-atom transfer to proton-transport catalysis

Authors: Sílvia Simon, Mariona Sodupe, Joan Bertran

Theoretical Chemistry Accounts, 2004, 111, 2-6, 217-222

DOI: 10.1007/s00214-003-0523-6

Keywords: Ab initio theory, Catalysis, Chemical bonding, Computational chemistry, Reaction mechanisms

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