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Results: 819

Laia Guillaumes, Sílvia Simon
Dealing withQuasi -Ring Formation by Two Hydrogen Bonds. Cooperativity Analysis with Delocalization Indices
J. Phys. Chem. A, 2014, 118, 9727-9733
DOI: 10.1021/jp507133n

Alexander A. Voityuk
Estimation of Electronic Coupling for Singlet Excitation Energy Transfer
J. Phys. Chem. C, 2014, 118, 1478-1483
DOI: 10.1021/jp410802d

Yevhen Horbatenko, Juan Pedro Pérez, Pedro Hernández, Marcel Swart, Miquel Solà
Reaction Mechanisms for the Formation of Mono- And Dipropylene Glycol from the Propylene Oxide Hydrolysis over ZSM-5 Zeolite
J. Phys. Chem. C, 2014, 118, 21952-21962
DOI: 10.1021/jp504432a

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

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

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

Alexander A. Voityuk, R. A. Marcus, M. E. Michel-Beyerle
On the mechanism of photoinduced dimer dissociation in the plant UVR8 photoreceptor
Proceedings of the National Academy of Sciences, 2014, 111, 5219-5224
DOI: 10.1073/pnas.1402025111

Marc Garcia-Borràs, Sílvia Osuna, Marcel Swart, Josep M. Luis, Miquel Solà
Maximum Aromaticity as a Guiding Principle for the Most Suitable Hosting Cages in Endohedral Metallofullerenes
Angew. Chem. Int. Ed., 2013, 52, 9275-9278
DOI: 10.1002/anie.201303636