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Results: 485

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
OpenAccess: –
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

Albert Poater, Ana Gallegos Saliner, Miquel Solà, Luigi Cavallo, Andrew P. Worth
Computational methods to predict the reactivity of nanoparticles through structureproperty relationships
Expert Opin. Drug Deliv., 2010, 7, 295-305
DOI: 10.1517/17425240903508756

Xavi Ribas, Carlos Calle, Albert Poater, Alicia Casitas, Laura Gómez, Raül Xifra, Teodor Parella, Jordi Benet-Buchholz, Arthur Schweiger, George Mitrikas, Miquel Solà, Antoni Llobet, T. Daniel P. Stack
Facile CH Bond Cleavage via a Proton-Coupled Electron Transfer Involving a C−H···CuII Interaction
J. Am. Chem. Soc., 2010, 132, 12299-12306
DOI: 10.1021/ja101599e

Ferran Feixas, J. Oscar C. Jiménez-Halla, Eduard Matito, Jordi Poater, Miquel Solà
A Test to Evaluate the Performance of Aromaticity Descriptors in All-Metal and Semimetal Clusters. An Appraisal of Electronic and Magnetic Indicators of Aromaticity
J. Chem. Theory Comput., 2010, 6, 1118-1130
DOI: 10.1021/ct100034p

Rafael Islas, Gerardo Martínez-Guajardo, J. Oscar C. Jiménez-Halla, Miquel Solà, Gabriel Merino
Not All That Has a Negative NICS Is Aromatic: The Case of the H-Bonded Cyclic Trimer of HF
J. Chem. Theory Comput., 2010, 6, 1131-1135
DOI: 10.1021/ct100098c

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