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Results: 767

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

Trieu-Tien Thai, Delphine S. Mérel, Albert Poater, Sylvain Gaillard, Jean-Luc Renaud
Highly Active Phosphine-Free Bifunctional Iron Complex for Hydrogenation of Bicarbonate and Reductive Amination
Chem-Eur J., 2015, 21, 7066-7070
DOI: 10.1002/chem.201500720

Azin Hassanpour, Ferran Acuña-Parés, Josep M. Luis, Olaf Cussó, Silvia Morales de la Rosa, José Miguel Campos-Martín, Jose L. G. Fierro, Miquel Costas, Julio Lloret-Fillol, Rubén Mas-Ballesté
H2 oxidation versus organic substrate oxidation in non-heme iron mediated reactions with H2 O2
Chem. Commun., 2015, 51, 14992-14995
DOI: 10.1039/C5CC06402C

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

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