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Results: 803

Lluís Armangué, Miquel Solà, Marcel Swart
Nuclear Shieldings with the SSB-D Functional
J. Phys. Chem. A, 2011, 115, 1250-1256
DOI: 10.1021/jp108327c

Albert Rimola, Jorge Alí-Torres, Cristina Rodríguez-Rodríguez, Jordi Poater, Eduard Matito, Miquel Solà, Mariona Sodupe
Ab Initio Design of Chelating Ligands Relevant to Alzheimers Disease: Influence of Metalloaromaticity
J. Phys. Chem. A, 2011, 115, 12659-12666
DOI: 10.1021/jp203465h

Ferran Feixas, Eduard Matito, Jordi Poater, Miquel Solà
Understanding Conjugation and Hyperconjugation from Electronic Delocalization Measures
J. Phys. Chem. A, 2011, 115, 13104-13113
DOI: 10.1021/jp205152n

Sílvia Osuna, Marcel Swart, Miquel Solà
Dispersion Corrections Essential for the Study of Chemical Reactivity in Fullerenes
J. Phys. Chem. A, 2011, 115, 3491-3496
DOI: 10.1021/jp1091575

Carles Curutchet, Jordi Poater, Miquel Solà, José Elguero
Analysis of the Effects of N-Substituents on Some Aspects of the Aromaticity of Imidazoles and Pyrazoles
J. Phys. Chem. A, 2011, 115, 8571-8577
DOI: 10.1021/jp204263p

Alexander A. Voityuk
Long-Range Electron Transfer in Biomolecules. Tunneling or Hopping?
J. Phys. Chem. B, 2011, 115, 12202-12207
DOI: 10.1021/jp2054876

Krzysztof K. Zborowski, Miquel Solà, Jordi Poater, Leonard M. Proniewicz
Theoretical studies on aromaticity of selected hydroxypyrones. Part 3#. Chelatoaromaticity phenomenon in metalcomplexes of hydroxypyrones
J. Phys. Org. Chem., 2011, 24, 499-506
DOI: 10.1002/poc.1794

J. Oscar C. Jiménez-Halla, F. Matthias Bickelhaupt, Miquel Solà
Organomagnesium clusters: Structure, stability, and bonding in archetypal models
Journal of Organometallic Chemistry, 2011, 696, 4104-4111
DOI: 10.1016/j.jorganchem.2011.06.014

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

Pierrick Nun, Sylvain Gaillard, Albert Poater, Luigi Cavallo, Steven P. Nolan
A combined mechanistic and computational study of the gold(I)-catalyzed formation of substituted indenes
Org. Biomol. Chem., 2011, 9, 101-104
DOI: 10.1039/c0ob00758g

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