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Results: 1751

Anna Company, Gerard Sabenya, María González-Béjar, Laura Gómez, Martin Clémancey, Geneviève Blondin, Andrew J. Jasniewski, Mayank Puri, Wesley R. Browne, Jean-Marc Latour, Lawrence Que, Miquel Costas, Julia Pérez-Prieto
Triggering the Generation of an Iron(IV)-Oxo Compound and Its Reactivity toward Sulfides by Ru
Journal of the American Chemical Society, 2014, 136, 4624-4633
DOI: 10.1021/ja412059c

Marc Font, Ferran Acuña-Parés, Teodor Parella, Jordi Serra, Josep M. Luis, Julio Lloret-Fillol, Miquel Costas, Xavi Ribas
Direct observation of two-electron Ag(I)/Ag(III) redox cycles in coupling catalysis
Nat Comms, 2014, 5, 4373
DOI: 10.1038/ncomms5373

Cristina García-Simón, Marc Garcia-Borràs, Laura Gómez, Teodor Parella, Sílvia Osuna, Jordi Juanhuix, Inhar Imaz, Daniel Maspoch, Miquel Costas, Xavi Ribas
Sponge-like molecular cage for purification of fullerenes
Nat Comms, 2014, 5, 5557
DOI: 10.1038/ncomms6557

Marta Soler, Marta González-Bártulos, David Soriano-Castell, Xavi Ribas, Miquel Costas, Francesc Tebar, Anna Massaguer, Lidia Feliu, Marta Planas
Identification of BP16 as a non-toxic cell-penetrating peptide with highly efficient drug delivery properties
Org. Biomol. Chem., 2014, 12, 1652-1663
DOI: 10.1039/c3ob42422g

Jordi Poater, Marcel Swart, F. Matthias Bickelhaupt, Célia Fonseca Guerra
B-DNA Structure and Stability: The Role of Hydrogen Bonding, π-π Stacking Interactions, Twist-Angle, and Solvation
Org. Biomol. Chem., 2014, 12, 4691-4700
DOI: 10.1039/c4ob00427b

Rafael Islas, Jordi Poater, Miquel Solà
Analysis of the Aromaticity of Five-Membered Heterometallacycles Containing Os, Ru, Rh, and Ir
Organometallics, 2014, 33, 1762-1773
DOI: 10.1021/om500119c

Eva Pump, Albert Poater, Michaela Zirngast, Ana Torvisco, Roland Fischer, Luigi Cavallo, Christian Slugovc
Impact of Electronic Modification of the Chelating Benzylidene Ligand in cis-Dichloro-Configured Second-Generation Olefin Metathesis Catalysts on Their Activity
Organometallics, 2014, 33, 2806-2813
DOI: 10.1021/om500315t

Maja Gruden-Pavlović, Stepan Stepanovic, Marko Peric, Mireia Güell, Marcel Swart
Density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals
Phys. Chem. Chem. Phys., 2014, 16, 14514-14522
DOI: 10.1039/c3cp55488k
Keywords: Spin states

Cristina Butchosa, Sílvia Simon, Lluís Blancafort, Alexander A. Voityuk
On the performance of the Kohn–Sham orbital approach in the calculation of electron transfer parameters. The three state model
Phys. Chem. Chem. Phys., 2014, 16, 17154-17162
DOI: 10.1039/c4cp02117g

Samantha Jenkins, Lluís Blancafort, Steven R. Kirk, Michael J. Bearpark
The response of the electronic structure to electronic excitation and double bond torsion in fulvene: a combined QTAIM, stress tensor and MO perspective
Phys. Chem. Chem. Phys., 2014, 16, 7115-7126
DOI: 10.1039/c4cp00003j