Results: 874
Irene Prat, Jennifer S. Mathieson, Mireia Güell, Xavi Ribas, Josep M. Luis, Leroy Cronin, Miquel Costas
Observation of Fe(V)=O using variable-temperature mass spectrometry and its enzyme-like CH and C=C oxidation reactions
Nature Chem, 2011, 3, 788-793
DOI: 10.1038/NCHEM.1132
Anna Dachs, Anna Roglans, Miquel Solà
RhCl(PPh3)3-catalyzed intramolecular cycloaddition of enediynes: the nature of the tether and substituents controls the reaction mechanism
Organometallics, 2011, 30, 3151-3159
DOI: 10.1021/om200227e
Diego M. Andrada, Alejandro M. Granados, Miquel Solà, Israel Fernández
DFT Study of Thermal 1,3-Dipolar Cycloaddition Reactions between Alkynyl Metal(0) Fischer Carbene Complexes and 3
Organometallics, 2011, 30, 466-476
DOI: 10.1021/om1007105
Marcel Swart, Mireia Güell, Miquel Solà
A multi-scale approach to spin crossover in Fe(ii) compounds
Phys. Chem. Chem. Phys., 2011, 13, 10449-10456
DOI: 10.1039/c1cp20646jKeywords: Spin states
Alexander A. Voityuk, Khatcharin Siriwong, Yuri A. Berlin
Effects of various halogen anions and cations of alkali metals on energetics of excess charge recombination in stilbene donor–acceptor capped DNA hairpins
Phys. Chem. Chem. Phys., 2011, 13, 16028-16032
DOI: 10.1039/c1cp21056d
Jordi Poater, Ferran Feixas, F. Matthias Bickelhaupt, Miquel Solà
All-metal aromatic clusters M42 (M = B, Al, and Ga). Are -electrons distortive or not?
Phys. Chem. Chem. Phys., 2011, 13, 20673-20681
DOI: 10.1039/c1cp22759a
Ferran Feixas, Jelle Vandenbussche, Patrick Bultinck, Eduard Matito, Miquel Solà
Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds
Phys. Chem. Chem. Phys., 2011, 13, 20690-20703
DOI: 10.1039/c1cp22239b
Sílvia Osuna, Marcel Swart, Miquel Solà
The reactivity of endohedral fullerenes. What can be learnt from computational studies?
Phys. Chem. Chem. Phys., 2011, 13, 3585-3603
DOI: 10.1039/c0cp01594f
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
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