Results: 481
F. Matthias Bickelhaupt, Miquel Solà, Israel Fernández
Understanding the Reactivity of Endohedral Metallofullerenes: C78 versus Sc3 N@C78
Chem-Eur J., 2015, 21, 5760-5768
DOI: 10.1002/chem.201500067
Verònica Postils, Marc Garcia-Borràs, Miquel Solà, Josep M. Luis, Eduard Matito
On the existence and characterization of molecular electrides
Chem. Commun., 2015, 51, 4865-4868
DOI: 10.1039/c5cc00215j
Ferran Feixas, Eduard Matito, Jordi Poater, Miquel Solà
Quantifying aromaticity with electron delocalisation measures
Chem. Soc. Rev., 2015, 44, 6434-6451
DOI: 10.1039/c5cs00066a
Juan Pablo Martínez, Miquel Solà, Albert Poater
On the Reaction Mechanism of the Rhodium-Catalyzed Arylation of Fullerene (C60 ) with Organoboron Compounds in the Presence of Water
ChemistryOpen, 2015, 4, 774–778
DOI: 10.1002/open.201500093
Ferran Feixas, Mauricio Rodríguez-Mayorga, Eduard Matito, Miquel Solà
Three-center bonding analyzed from correlated and uncorrelated third-order reduced density matrices
Computational and Theoretical Chemistry, 2015, 1053, 173-179
DOI: 10.1016/j.comptc.2014.09.030
Paul L. Ayers, Russell J. Boyd, Patrick Bultinck, Michel Caffarel, Ramon Carbó-Dorca, Mauro Causá, Jerzy Cioslowski, Julia Contreras-Garcia, David L. Cooper, Philip Coppens, Carlo Gatti, Simon Grabowsky, Paolo Lazzeretti, Piero Macchi, Ángel Martín Pendás, Paul L.A. Popelier, Klaus Ruedenberg, Henry Rzepa, Andreas Savin, Alexander Sax, W.H. Eugen Schwarz, Shant Shahbazian, Bernard Silvi, Miquel Solà, Vladimir Tsirelson
Six questions on topology in theoretical chemistry
Computational and Theoretical Chemistry, 2015, 1053, 2-16
DOI: 10.1016/j.comptc.2014.09.028
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