Publications

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Results: 485

Ester Manrique, Albert Poater, Xavier Fontrodona, Miquel Solà, Montserrat Rodríguez, Isabel Romero
Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions
Dalton Trans.
, 2015, 44, 17529-17543
DOI: 10.1039/c5dt02787j

J. Oscar C. Jiménez-Halla, Eduard Matito, Miquel Solà, Holger Braunschweig, Christian Hörl, Ivo Krummenacher, Johannes Wahler
A theoretical study of the aromaticity in neutral and anionic borole compounds
Dalton Trans., 2015, 44, 6740-6747
DOI: 10.1039/c4dt03445g

Christine Lepetit, Jordi Poater, M. Esmail Alikhani, Bernard Silvi, Yves Canac, Julia Contreras-García, Miquel Solà, Remi Chauvin
The Missing Entry in the Agostic–Anagostic Series: Rh(I)–η1 -C Interactions in P(CH)P Pincer Complexes
Inorg. Chem., 2015, 54, 2960-2969
DOI: 10.1021/acs.inorgchem.5b00069

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
Enantiospecificcis –trans 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

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