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Results: 1856

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

Anna Godayol, Emili Besalú, Enriqueta Anticó, Juan M. Sanchez
Monitoring of sixteen fragrance allergens and two polycyclic musks in wastewater treatment plants by solid phase microextraction coupled to gas chromatography
Chemosphere, 2015, 119, 363-370
DOI: 10.1016/j.chemosphere.2014.06.072

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

Giorgio Olivo, Martina Nardi, Diego Vidal, Alessia Barbieri, Andrea Lapi, Laura Gómez, Osvaldo Lanzalunga, Miquel Costas, Stefano Di Stefano
C–H Bond Oxidation Catalyzed by an Imine-Based Iron Complex: A Mechanistic Insight
Inorg. Chem., 2015, 54, 10141-10152
DOI: 10.1021/acs.inorgchem.5b01500

Marta Soler, Eduard Figueras, Joan Serrano-Plana, Marta González-Bártulos, Anna Massaguer, Anna Company, M. Ángeles Martínez, Jaroslav Malina, Viktor Brabec, Lidia Feliu, Marta Planas, Xavi Ribas, Miquel Costas
Design, Preparation, and Characterization of Zn and Cu Metallopeptides Based On Tetradentate Aminopyridine Ligands Showing Enhanced DNA Cleavage Activity
Inorg. Chem., 2015, 54, 10542-10558
DOI: 10.1021/acs.inorgchem.5b01680