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Results: 469

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

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

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
Keywords: Homogeneous catalysis

Sílvia Osuna, Marcel Swart, Miquel Solà
Reactivity and Regioselectivity of Noble Gas Endohedral Fullerenes Ng@C60 and Ng2@C60 (Ng=He-Xe)
Chem-Eur J., 2010, 16, 3878-3878
DOI: 10.1002/chem.201090060

Iván González, Anna Pla-Quintana, Anna Roglans, Anna Dachs, Miquel Solà, Teodor Parella, Jordi Farjas, Pere Roura, Vega Lloveras, José Vidal-Gancedo
Ene reactions between two alkynes? Doors open to thermally induced cycloisomerization of macrocyclic triynes and enediynes
Chem. Commun., 2010, 46, 2944-2946
DOI: 10.1039/b926497c

Alicia Casitas, Albert Poater, Miquel Solà, Shannon S. Stahl, Miquel Costas, Xavi Ribas
Molecular mechanism of acid-triggered arylhalide reductive elimination in well-defined arylCuIIIhalide species
Dalton Trans., 2010, 39, 10458-10463
DOI: 10.1039/c0dt00284d


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