| How does basis set superposition error change the potential surfaces for hydrogen‐bonded dimers? S Simon, M Duran, JJ Dannenberg The Journal of chemical physics 105 (24), 11024-11031, 1996 | 2224 | 1996 |
| Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches J Poater, M Duran, M Sola, B Silvi Chemical reviews 105 (10), 3911-3947, 2005 | 796 | 2005 |
| The aromatic fluctuation index (FLU): A new aromaticity index based on electron delocalization E Matito, M Duran, M Sola The Journal of chemical physics 122 (1), 2005 | 534* | 2005 |
| The delocalization index as an electronic aromaticity criterion: application to a series of planar polycyclic aromatic hydrocarbons J Poater, X Fradera, M Duran, M Solà Chemistry–A European Journal 9 (2), 400-406, 2003 | 515 | 2003 |
| Electron sharing indexes at the correlated level. Application to aromaticity calculations E Matito, M Solà, P Salvador, M Duran Faraday discussions 135, 325-345, 2007 | 258 | 2007 |
| Electron-pairing analysis from localization and delocalization indices in the framework of the atoms-in-molecules theory X Fradera, J Poater, S Simon, M Duran, M Solà Theoretical Chemistry Accounts 108, 214-224, 2002 | 218 | 2002 |
| The calculation of electron localization and delocalization indices at the Hartree–Fock, density functional and post-Hartree–Fock levels of theory J Poater, M Solà, M Duran, X Fradera Theoretical Chemistry Accounts 107, 362-371, 2002 | 211 | 2002 |
| Comparison of the AIM delocalization index and the mayer and fuzzy atom bond orders E Matito, J Poater, M Solà, M Duran, P Salvador The Journal of Physical Chemistry A 109 (43), 9904-9910, 2005 | 201 | 2005 |
| Electron localization function at the correlated level E Matito, B Silvi, M Duran, M Sola The Journal of chemical physics 125 (2), 2006 | 177 | 2006 |
| Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules M Torrent-Sucarrat, M Sola, M Duran, JM Luis, B Kirtman The Journal of chemical physics 120 (14), 6346-6355, 2004 | 176 | 2004 |
| Analysis of solvent effects on the Menshutkin reaction M Sola, A Lledos, M Duran, J Bertran, JLM Abboud Journal of the American Chemical Society 113 (8), 2873-2879, 1991 | 174 | 1991 |
| Density functional study of the [2+ 2]-and [2+ 3]-cycloaddition mechanisms for the osmium-catalyzed dihydroxylation of olefins M Torrent, L Deng, M Duran, M Sola, T Ziegler Organometallics 16 (1), 13-19, 1997 | 164 | 1997 |
| An insight into the local aromaticities of polycyclic aromatic hydrocarbons and fullerenes J Poater, X Fradera, M Duran, M Sola Chemistry–A European Journal 9 (5), 1113-1122, 2003 | 163 | 2003 |
| Effect of basis set superposition error on the water dimer surface calculated at Hartree− Fock, Møller− Plesset, and density functional theory levels S Simon, M Duran, JJ Dannenberg The Journal of Physical Chemistry A 103 (11), 1640-1643, 1999 | 162 | 1999 |
| Electron localization function at the correlated level: a natural orbital formulation F Feixas, E Matito, M Duran, M Solà, B Silvi Journal of Chemical Theory and Computation 6 (9), 2736-2742, 2010 | 139 | 2010 |
| Mechanism of the Addition Reaction of Alkyl Azides to [60]Fullerene and the Subsequent N2 Extrusion to Form Monoimino-[60]fullerenes M Cases, M Duran, J Mestres, N Martín, M Solà The Journal of Organic Chemistry 66 (2), 433-442, 2001 | 128 | 2001 |
| On the validity of the maximum hardness and minimum polarizability principles for nontotally symmetric vibrations M Torrent-Sucarrat, JM Luis, M Duran, M Solà Journal of the American Chemical Society 123 (32), 7951-7952, 2001 | 125 | 2001 |
| Fine‐Tuning the Electronic Properties of Highly Stable Organometallic CuIII Complexes Containing Monoanionic Macrocyclic Ligands R Xifra, X Ribas, A Llobet, A Poater, M Duran, M Solà, TDP Stack, ... Chemistry–A European Journal 11 (17), 5146-5156, 2005 | 117 | 2005 |
| On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes P Salvador, B Paizs, M Duran, S Suhai Journal of Computational Chemistry 22 (7), 765-786, 2001 | 113 | 2001 |
| Molecular Structure and Bonding of Copper Cluster Monocarbonyls CunCO (n = 1−9) A Poater, M Duran, P Jaque, A Toro-Labbé, M Sola The Journal of Physical Chemistry B 110 (13), 6526-6536, 2006 | 110 | 2006 |
Miquel Solà Puig (ORCID: 0000-0002-...University of Girona / Universitat de Girona (GRID grid.5319.e / ROR 01xdxns91)Verified email at udg.edu
