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Results: 472

Verònica Postils, Anna Company, Miquel Solà, Miquel Costas, Josep M. Luis
Computational Insight into the Mechanism of Alkane Hydroxylation by Non-heme Fe(PyTACN) Iron Complexes. Effects of the Substrate and Solvent
Inorg. Chem., 2015, 54, 8223-8236
DOI: 10.1021/acs.inorgchem.5b00583

Enrique E. Maroto, Jaime Mateos, Marc Garcia-Borràs, Sílvia Osuna, Salvatore Filippone, MaríaÁngeles Herranz, Yasujiro Murata, Miquel Solà, Nazario Martín
Enantiospecificcistrans Isomerization in Chiral Fulleropyrrolidines: Hydrogen-Bonding Assistance in the Carbanion Stabilization in H2 O@C60
J. Am. Chem. Soc., 2015, 137, 1190-1197
DOI: 10.1021/ja5108854

Anton J. Stasyuk, Michał K. Cyrański, Daniel T. Gryko, Miquel Solà
Acidic C–H Bond as a Proton Donor in Excited State Intramolecular Proton Transfer Reactions
J. Chem. Theory Comput., 2015, 11, 1046-1054
DOI: 10.1021/ct501100t

JuanPablo Martínez, Sílvia Osuna, Miquel Solà, Alexander A. Voityuk
Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study
Theor Chem Acc, 2015, 134, 12
DOI: 10.1007/s00214-015-1614-x

Halina Szatyłowicz, Tadeusz M. Krygowski, Miquel Solà, Marcin Palusiak, Justyna Dominikowska, Olga A. Stasyuk, Jordi Poater
Why 1,2-quinone derivatives are more stable than their 2,3-analogues?
Theor Chem Acc, 2015, 134, 35
DOI: 10.1007/s00214-015-1635-5

Jordi Poater, Miquel Solà, Clara Viñas, Francesc Teixidor
π Aromaticity and Three-Dimensional Aromaticity: Two sides of the Same Coin?
Angew. Chem. Int. Ed., 2014, 53, 12191-12195
DOI: 10.1002/anie.201407359

Carlo Di Giovanni, Albert Poater, Jordi Benet-Buchholz, Luigi Cavallo, Miquel Solà, Antoni Llobet
Dinuclear Ru-Aqua Complexes for Selective Epoxidation Catalysis Based on Supramolecular Substrate Orientation Effects
Chem-Eur J., 2014, 20, 3898-3902
DOI: 10.1002/chem.201304699

Abril C. Castro, Edison Osorio, José Luis Cabellos, Erick Cerpa, Eduard Matito, Miquel Solà, Marcel Swart, Gabriel Merino
Exploring the Potential Energy Surface of E2P4 clusters (E = Group 13 Element): The quest of inverse carbon-free sandwiches
Chem-Eur J., 2014, 20, 4583-4590
DOI: 10.1002/chem.201304685

Ewelina Haraburda, Óscar Torres, Teodor Parella, Miquel Solà, Anna Pla-Quintana
Stereoselective Rhodium-Catalysed [2+2+2] Cycloaddition of Linear Allene-Ene/Yne-Allene Substrates: Reactivity and Theoretical Mechanistic Studies
Chem-Eur J., 2014, 20, 5034-5045
DOI: 10.1002/chem.201304463

Ouissam El Bakouri, Daniel Cassú, Miquel Solà, Teodor Parella, Anna Pla-Quintana, Anna Roglans
A new mild synthetic route to N-arylated pyridazinones from aryldiazonium salts
Chem. Commun., 2014, 50, 8073-8076
DOI: 10.1039/c4cc03190c

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