Miquel Solà

According to our database1, Miquel Solà authored at least 28 papers between 1994 and 2019.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of five.

Timeline

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PhD thesis 
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Bibliography

2019
Nine questions on energy decomposition analysis.
Journal of Computational Chemistry, 2019

2017
The role of the long-range exchange corrections in the description of electron delocalization in aromatic species.
Journal of Computational Chemistry, 2017

Is coronene better described by Clar's aromatic π-sextet model or by the AdNDP representation?
Journal of Computational Chemistry, 2017

2016
Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C60 donor-acceptor conjugate.
Journal of Computational Chemistry, 2016

Complexes of adamantane-based group 13 Lewis acids and superacids: Bonding analysis and thermodynamics of hydrogen splitting.
Journal of Computational Chemistry, 2016

2013
Corrigendum: Inter- and intramolecular dispersion interactions.
Journal of Computational Chemistry, 2013

2011
Inter- and intramolecular dispersion interactions.
Journal of Computational Chemistry, 2011

Erratum: Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.
Journal of Computational Chemistry, 2011

Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices.
Journal of Computational Chemistry, 2011

A dissected ring current model for assessing magnetic aromaticity: A general approach for both organic and inorganic rings.
Journal of Computational Chemistry, 2011

2010
A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity.
Symmetry, 2010

2009
Switching between OPTX and PBE exchange functionals.
J. Comput. Meth. in Science and Engineering, 2009

Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine.
Journal of Computational Chemistry, 2009

Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.
Journal of Computational Chemistry, 2009

2008
The hardness kernel as the basis for global and local reactivity indices.
Journal of Computational Chemistry, 2008

On the performance of some aromaticity indices: A critical assessment using a test set.
Journal of Computational Chemistry, 2008

2007
On the quality of the hardness kernel and the Fukui function to evaluate the global hardness.
Journal of Computational Chemistry, 2007

Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods.
Journal of Computational Chemistry, 2007

Covalent versus ionic bonding in alkalimetal fluoride oligomers.
Journal of Computational Chemistry, 2007

2005
Oxidative addition of the ethane C-C bond to Pd. An ab initio benchmark and DFT validation study.
Journal of Computational Chemistry, 2005

Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si).
Journal of Computational Chemistry, 2005

2004
Second-order atomic Fukui indices from the electron-pair density in the framework of the atoms in molecules theory.
Journal of Computational Chemistry, 2004

2002
Electron localization and delocalization in open-shell molecules.
Journal of Computational Chemistry, 2002

2001
Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques.
Journal of Computational Chemistry, 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.
Journal of Computational Chemistry, 2000

1995
Theoretical Investigation of the Relative Stabilites of XSSX and X2SS Isomers (X=F, C1, H, and CH3.
Journal of Computational Chemistry, 1995

1994
Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd).
Journal of Chemical Information and Computer Sciences, 1994

On the Calculation of Ab Initio Quantum Molecular Similarities for Large Systems: Fitting the Electron Density.
Journal of Computational Chemistry, 1994


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