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Results: 874

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

Sai V. C. Vummaleti, David J. Nelson, Albert Poater, Adrián Gómez-Suárez, David B. Cordes, Alexandra M. Z. Slawin, Steven P. Nolan, Luigi Cavallo
What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?
Chem. Sci., 2015, 6, 1895-1904
DOI: 10.1039/c4sc03264k

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

Laia Guillaumes, Sílvia Simon, C. Fonseca Guerra
The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine-Thymine (AT) Base Pairs and Their Mimics
ChemistryOpen, 2015, 4, 318-327
DOI: 10.1002/open.201402132

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

Sai Vikrama Chaitanya Vummaleti, Giovanni Talarico, Steven P. Nolan, Luigi Cavallo, Albert Poater
Mechanism of CO₂ Fixation by Ir^I -X Bonds (X = OH, OR, N, C)
Eur. J. Inorg. Chem., 2015, 2015, 4653-4657
DOI: 10.1002/ejic.201500905