On the Calculation of Ab Initio Quantum Molecular Similarities for Large Systems: Fitting the Electron Density. - Jordi Mestres; Miquel Solà; Miquel Duran; Ramon Carbó (J. Comput. Chem., 1994)

Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd). - Miquel Solà; Jordi Mestres; Miquel Duran; Ramon Carbó (J. Chem. Inf. Comput. Sci., 1994)

Theoretical characterization of intramolecular proton transfer in the ground and the lowest-lying triplet excited states of 1-amino-3-propenal: a methodological comparison. - Marta Forés; Miquel Duran; Miquel Solà; Ludwik Adamowicz (J. Comput. Chem., 2000)

Atomic transferability within the exchange-correlation density. - Xavier Fradera; Miquel Duran; Jordi Mestres (J. Comput. Chem., 2000)

Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces. - Béla Paizs; Pedro Salvador; Attila G. Császár; Miquel Duran; Sándor Suhai (J. Comput. Chem., 2001)

Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques. - Jordi Poater; Miquel Duran; Miquel Solà (J. Comput. Chem., 2001)

On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes. - Pedro Salvador; Béla Paizs; Miquel Duran; Sándor Suhai (J. Comput. Chem., 2001)

Is coronene better described by Clar's aromatic π-sextet model or by the AdNDP representation? - Anand Kumar; Miquel Duran; Miquel Solà (J. Comput. Chem., 2017)