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Results: 1412

Sílvia Osuna, Marcel Swart, Evert Jan Baerends, F. Matthias Bickelhaupt, Miquel Solà
Homolytic versus Heterolytic Dissociation of Alkalimetal Halides: The Effect of Microsolvation
ChemPhysChem, 2009, 10, 2955-2965
DOI: 10.1002/cphc.200900480

Eduard Matito, Miquel Solà
The role of electronic delocalization in transition metal complexes from the electron localization function and the quantum theory of atoms in molecules viewpoints
Coordination Chemistry Reviews, 2009, 253, 647-665
DOI: 10.1016/j.ccr.2008.10.003

Scott A. Sulway, Roman Girshfeld, Sophia A. Solomon, Christopher A. Muryn, Jordi Poater, Miquel Solà, F. Matthias Bickelhaupt, Richard A. Layfield
Alkali Metal Complexes of Silyl-Substituted
Eur. J. Inorg. Chem., 2009, 2009, 4157-4167
DOI: 10.1002/ejic.200900618

Marta Izquierdo, Sílvia Osuna, Salvatore Filippone, Angel Martín-Domenech, Miquel Solà, Nazario Martín
On the Regioselective Intramolecular Nucleophilic Addition of Thiols to C
Eur. J. Org. Chem., 2009, 2009, 6231-6238
DOI: 10.1002/ejoc.200900835

Priyabrata Banerjee, Anna Company, Thomas Weyhermüller, Eckhard Bill, Corinna R. Hess
Zn and Fe Complexes Containing a Redox Active Macrocyclic Biquinazoline Ligand
Inorganic Chemistry, 2009, 48, 2944-2955
DOI: 10.1021/ic8020172

Pedro Salvador
Convergence acceleration techniques for non-Hermitian SCF problems
Int. J. Quantum Chem., 2009, 109, 2564-2571
DOI: 10.1002/qua.22103

Pedro Salvador, Xavier Fradera, Miquel Duran
Quantitative assessment of the effect of basis set superposition error on the electron density of molecular complexes by means of quantum molecular similarity measures
Int. J. Quantum Chem., 2009, 109, 2572-2580
DOI: 10.1002/qua.22039

Mireia Güell, Josep M. Luis, Miquel Solà, Per E. M. Siegbahn
Theoretical study of the hydroxylation of phenolates by the Cu2O2(N,N-dimethylethylenediamine)2 2+ complex
J Biol Inorg Chem, 2009, 14, 229-242
DOI: 10.1007/s00775-008-0443-y

Mireia Güell, Josep M. Luis, Per E. M. Siegbahn, Miquel Solà
Theoretical study of the hydroxylation of phenols mediated by an end-on bound superoxocopper(II) complex
J Biol Inorg Chem, 2009, 14, 273-285
DOI: 10.1007/s00775-008-0447-7

Sílvia Osuna, Marcel Swart, Miquel Solà
The Diels-Alder reaction on endohedral Y3N@C78: The importance of the fullerene strain energy
J. Am. Chem. Soc., 2009, 131, 129-139
DOI: 10.1021/ja8048783

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