Miquel Solà
Orcid: 0000-0002-1917-7450
According to our database1,
Miquel Solà
authored at least 29 papers
between 1994 and 2023.
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Bibliography
2023
J. Comput. Chem., January, 2023
2019
2017
The role of the long-range exchange corrections in the description of electron delocalization in aromatic species.
J. Comput. Chem., 2017
Is coronene better described by Clar's aromatic π-sextet model or by the AdNDP representation?
J. Comput. Chem., 2017
2016
Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C<sub>60</sub> donor-acceptor conjugate.
J. Comput. Chem., 2016
Complexes of adamantane-based group 13 Lewis acids and superacids: Bonding analysis and thermodynamics of hydrogen splitting.
J. Comput. Chem., 2016
2013
J. Comput. Chem., 2013
2011
Erratum: Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.
J. Comput. Chem., 2011
Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices.
J. Comput. Chem., 2011
A dissected ring current model for assessing magnetic aromaticity: A general approach for both organic and inorganic rings.
J. Comput. Chem., 2011
2010
A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity.
Symmetry, 2010
2009
J. Comput. Methods Sci. Eng., 2009
Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine.
J. Comput. Chem., 2009
Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.
J. Comput. Chem., 2009
2008
J. Comput. Chem., 2008
On the performance of some aromaticity indices: A critical assessment using a test set.
J. Comput. Chem., 2008
2007
On the quality of the hardness kernel and the Fukui function to evaluate the global hardness.
J. Comput. Chem., 2007
Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods.
J. Comput. Chem., 2007
J. Comput. Chem., 2007
2005
Oxidative addition of the ethane C-C bond to Pd. An <i>ab initio</i> benchmark and DFT validation study.
J. Comput. Chem., 2005
Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si).
J. Comput. Chem., 2005
2004
Second-order atomic Fukui indices from the electron-pair density in the framework of the atoms in molecules theory.
J. Comput. Chem., 2004
2002
J. Comput. Chem., 2002
2001
Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques.
J. Comput. Chem., 2001
2000
Theoretical characterization of intramolecular proton transfer in the ground and the lowest-lying triplet excited states of 1-amino-3-propenal: a methodological comparison.
J. Comput. Chem., 2000
1995
Theoretical Investigation of the Relative Stabilites of XSSX and X<sub>2</sub>SS Isomers (X=F, C1, H, and CH<sub>3</sub>.
J. Comput. Chem., 1995
1994
Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd).
J. Chem. Inf. Comput. Sci., 1994
On the Calculation of Ab Initio Quantum Molecular Similarities for Large Systems: Fitting the Electron Density.
J. Comput. Chem., 1994