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Results: 1857

Patrick Bultinck, Dorien Clarisse, Paul W. Ayers, Ramon Carbo-Dorca
The Fukui matrix: a simple approach to the analysis of the Fukui function and its positive character
Phys. Chem. Chem. Phys., 2011, 13, 6110-
DOI: 10.1039/C0CP02268C
OpenAccess: –
Keywords: Molecular similarity

Albert Poater, Francesco Ragone, Manel Garrido, Sònia Pérez, Manel Poch, Andrea Correa, Luigi Cavallo
Deactivation of Ru-benzylidene Grubbs catalysts active in olefin metathesis
Procedia Computer Science, 2011, 4, 1222-1229
DOI: 10.1016/j.procs.2011.04.131

Ramon Carbó-Dorca, Emili Besalú
Construction of coherent nano quantitative structure–properties relationships (nano-QSPR) models and catastrophe theory
SAR and QSAR in Environmental Research, 2011, 22, 661-665
DOI: 10.1080/1062936X.2011.623319

Bruno Teixeira-Dias, David Zanuy, Jordi Poater, Miquel Solà, Francesc Estrany, Luis J. del Valle, Carlos Alemán
Binding of 6-mer single-stranded homo-nucleotides to poly(3,4-ethylenedioxythiophene): specific hydrogen bonds with guanine
Soft Matter, 2011, 7, 9922-9932
DOI: 10.1039/c1sm05856h

Giovanni Penna, Sara Furlan, Miquel Solà
Measuring electron sharing between atoms in first-principle simulations
Theor Chem Acc, 2011, 130, 27-36
DOI: 10.1007/s00214-011-0955-3

Ferran Feixas, Eduard Matito, Miquel Duran, Jordi Poater, Miquel Solà
Aromaticity and electronic delocalization in all-metal clusters with single, double, and triple aromatic character
Theor Chem Acc, 2011, 128, 419-431
DOI: 10.1007/s00214-010-0805-8

David Rř̌eha, Alexander A. Voityuk, Sarah A. Harris
Anin Silico Design for a DNA Nanomechanical Switch
ACS Nano, 2010, 4, 5737-5742
DOI: 10.1021/nn1014038

Isaac Garcia-Bosch, Anna Company, Jonathan R. Frisch, Miquel Torrent-Sucarrat, Mar Cardellach, Ilaria Gamba, Mireia Güell, Luigi Casella, Lawrence Que, Xavi Ribas, Josep M. Luis, Miquel Costas
O2Activation and Selective Phenolate orthoHydroxylation by an Unsymmetric Dicopper -1:1-Peroxido Complex
Angew. Chem. Int. Ed., 2010, 49, 2406-2409
DOI: 10.1002/anie.200906749

Ronaldo Mariz, Albert Poater, Michele Gatti, Emma Drinkel, Justus J. Bürgi, Xinjun Luan, Sascha Blumentritt, Anthony Linden, Luigi Cavallo, Reto Dorta
C2-Symmetric Chiral Disulfoxide Ligands in Rhodium-Catalyzed 1,4-Addition: From Ligand Synthesis to the Enantioselection Pathway
Chem-Eur J., 2010, 16, 14335-14347
DOI: 10.1002/chem.201001749

Sílvia Osuna, Marcel Swart, Miquel Solà
On the Mechanism of Action of Fullerene Derivatives in Superoxide Dismutation
Chem-Eur J., 2010, 16, 3207-3214
DOI: 10.1002/chem.200902728
OpenAccess: –
Keywords: Homogeneous catalysis