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Results: 545

Cristina Butchosa, Sílvia Simon, Lluís Blancafort, Alexander A. Voityuk
On the performance of the Kohn–Sham orbital approach in the calculation of electron transfer parameters. The three state model
Phys. Chem. Chem. Phys., 2014, 16, 17154-17162
DOI: 10.1039/c4cp02117g

Alexander A. Voityuk, R. A. Marcus, M. E. Michel-Beyerle
On the mechanism of photoinduced dimer dissociation in the plant UVR8 photoreceptor
Proceedings of the National Academy of Sciences, 2014, 111, 5219-5224
DOI: 10.1073/pnas.1402025111

Marc Garcia-Borràs, Sílvia Osuna, Marcel Swart, Josep M. Luis, Miquel Solà
Maximum Aromaticity as a Guiding Principle for the Most Suitable Hosting Cages in Endohedral Metallofullerenes
Angew. Chem. Int. Ed., 2013, 52, 9275-9278
DOI: 10.1002/anie.201303636

Albert Poater, Miquel Solà
Complete σ* intramolecular aromatic hydroxylation mechanism through O₂ activation by a Schiff base macrocyclic dicopper(I) complex
Beilstein J. Org. Chem., 2013, 9, 585-593
DOI: 10.3762/bjoc.9.63

Cristina García-Simón, Marc Garcia-Borràs, Laura Gómez, Isaac Garcia-Bosch, Sílvia Osuna, Marcel Swart, Josep M. Luis, Concepció Rovira, Manuel Almeida, Inhar Imaz, Daniel Maspoch, Miquel Costas, Xavi Ribas
Self-Assembled Tetragonal Prismatic Molecular Cage Highly Selective for Anionic Guests
Chem-Eur J., 2013, 19, 1445-1456
DOI: 10.1002/chem.201203376

Marc Garcia-Borràs, Sílvia Osuna, Josep M. Luis, Marcel Swart, Miquel Solà
A Complete Guide on the Influence of Metal Clusters in the Diels-Alder Regioselectivity ofI -C₈₀ Endohedral Metallofullerenes
Chem-Eur J., 2013, 19, 14931-14940
DOI: 10.1002/chem.201302202

Solenne Moulin, Hélène Dentel, Anastassiya Pagnoux-Ozherelyeva, Sylvain Gaillard, Albert Poater, Luigi Cavallo, Jean-François Lohier, Jean-Luc Renaud
Bifunctional (Cyclopentadienone)Iron-Tricarbonyl Complexes: Synthesis, Computational Studies and Application in Reductive Amination
Chem-Eur J., 2013, 19, 17881-17890
DOI: 10.1002/chem.201302432

Marc Garcia-Borràs, Josep M. Luis, Marcel Swart, Miquel Solà
Diels–Alder and Retro-Diels–Alder Cycloadditions of (1,2,3,4,5-Pentamethyl)cyclopentadiene to La@C_2v-C₈₂: Regioselectivity and Product Stability
Chem-Eur J., 2013, 19, 4468-4479
DOI: 10.1002/chem.201203517

Irene Prat, Anna Company, Verònica Postils, Xavi Ribas, Lawrence Que, Josep M. Luis, Miquel Costas
The Mechanism of Stereospecific CH Oxidation by Fe(Pytacn) Complexes: Bioinspired Non-Heme Iron Catalysts Containing
Chem-Eur J., 2013, 19, 6724-6738
DOI: 10.1002/chem.201300110

Zoel Codolà, Isaac Garcia-Bosch, Ferran Acuña-Parés, Irene Prat, Josep M. Luis, Miquel Costas, Julio Lloret-Fillol
Electronic Effects on Single-Site Iron Catalysts for Water Oxidation
Chem-Eur J., 2013, 19, 8042-8047
DOI: 10.1002/chem.201301112