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| Issue Date | Title | Author(s) |
|---|---|---|
| 2016 | QM/MM calculations on selectivity in homogeneous catalysis | Jover Modrego, Jesús; Maseras Cuní, Feliu |
| 2016 | Mechanistic investigation of iridium-catalyzed C-H borylation of methyl benzoate: Ligand effects in regioselectivity and activity | Jover Modrego, Jesús; Maseras Cuní, Feliu |
| 3-Jul-2020 | A pH-Switchable aqueous organocatalysis with amphiphilic secondary amine-porphyrin hybrids | Arlegui Chamizo, Aitor; Torres, Pol; Cuesta, Victor; Crusats i Aliguer, Joaquim; Moyano i Baldoire, Albert |
| 14-Jan-2021 | Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations | Morais, Mariana A. B.; Coines, Joan; Domingues, Mariane N.; Pirolla, Renan A. S.; Tonoli, Celisa C. C.; Santos, Camila R.; Correa, Jessica B. L.; Gozzo, Fabio C.; Rovira i Virgili, Carme; Murakami, Mario T. |
| 2-Aug-2013 | Locating transition states on potential energy surfaces by the gentlest ascent dynamics | Bofill i Villà, Josep M.; Quapp, Wolfgang; Caballero Puig, Marc |
| 11-May-2017 | Bifunctional tripeptide with a phosphonic acid as a bronsted acid for Michael addition: mechanistic insights | Cortes-Clerget, Margery; Jover Modrego, Jesús; Dussart, Jade; Kolodziej, Emilie; Monteil, Maelle; Migianu-Griffoni, Evelyne; Gager, Olivier; Deschamp, Julia; Lecouvey, Marc |
| 7-Mar-2013 | Mirror symmetry breaking with limited enantioselective autocatalysis and temperature gradients: a stability survey | Blanco, Celia; Ribó i Trujillo, Josep M.; Crusats i Aliguer, Joaquim; El Hachemi, Zoubir; Moyano i Baldoire, Albert |
| 6-May-2013 | Understanding acid lability on Cysteine protecting groups | Ramos Tomillero, Iván; Mendive Tapia, Lorena; Góngora Benítez, Miriam; Nicolás Galindo, Ernesto; Tulla-Puche, Judit; Albericio Palomera, Fernando |
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