| Gaussian 98, rev MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... A11, 1998 | 92031* | 1998 |
| Overlap populations, bond orders and valences for [] fuzzy'atoms I Mayer, P Salvador Chemical physics letters 383 (3-4), 368-375, 2004 | 292 | 2004 |
| Electron sharing indexes at the correlated level. Application to aromaticity calculations E Matito, M Solà, P Salvador, M Duran Faraday Discuss. 135 (0), 325-345, 2006 | 214 | 2006 |
| Polarizability of the nitrate anion and its solvation at the air/water interface P Salvador, JE Curtis, DJ Tobias, P Jungwirth Phys. Chem. Chem. Phys. 5 (17), 3752-3757, 2003 | 159 | 2003 |
| 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 | 133 | 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 | 106 | 2001 |
| Energy partitioning for “fuzzy” atoms P Salvador, I Mayer The Journal of chemical physics 120, 5046, 2004 | 91 | 2004 |
| One-and two-center energy components in the atoms in molecules theory P Salvador, M Duran, I Mayer The Journal of Chemical Physics 115, 1153, 2001 | 89 | 2001 |
| Basis set superposition error-counterpoise corrected potential energy surfaces. Application to hydrogen peroxide⋯ X (X= F, Cl, Br, Li, Na) complexes MC Daza, JA Dobado, JM Molina, P Salvador, M Duran, JL Villaveces The Journal of chemical physics 110, 11806, 1999 | 87 | 1999 |
| Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: A solution to the problem D Asturiol, M Duran, P Salvador The Journal of chemical physics 128, 144108, 2008 | 85 | 2008 |
| Nine questions on energy decomposition analysis J Andrés, PW Ayers, RA Boto, R Carbó‐Dorca, H Chermette, J Cioslowski, ... Journal of Computational Chemistry 40 (26), 2248-2283, 2019 | 80 | 2019 |
| Separation of dynamic and nondynamic correlation E Ramos-Cordoba, P Salvador, E Matito Physical Chemistry Chemical Physics 18 (34), 24015-24023, 2016 | 80 | 2016 |
| The molecular basis for antimicrobial activity of pore-forming cyclic peptides AD Cirac, G Moiset, JT Mika, A Koçer, P Salvador, B Poolman, SJ Marrink, ... Biophysical Journal 100, 2422-2431, 2011 | 79 | 2011 |
| Aromaticity measures from Fuzzy-Atom Bond Orders (FBO). The Aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes E Matito, P Salvador, M Duran, M Solà The Journal of Physical Chemistry A 110 (15), 5108-5113, 2006 | 77 | 2006 |
| Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE‐corrected potential energy hypersurfaces B Paizs, P Salvador, AG Császár, M Duran, S Suhai Journal of Computational Chemistry 22 (2), 196-207, 2001 | 65 | 2001 |
| Toward a unique definition of the local spin E Ramos-Cordoba, E Matito, I Mayer, P Salvador Journal of chemical theory and computation 8 (4), 1270-1279, 2012 | 60 | 2012 |
| Oxidation states from wave function analysis E Ramos-Cordoba, V Postils, P Salvador Journal of chemical theory and computation 11 (4), 1501-1508, 2015 | 58 | 2015 |
| Calculation of trans-hydrogen-bond 13C-15N three-bond and other scalar J-couplings in cooperative peptide models. A density functional theory study P Salvador, N Kobko, R Wieczorek, JJ Dannenberg Journal of the American Chemical Society 126 (43), 14190-14197, 2004 | 58 | 2004 |
| Counterpoise corrected ion/molecule complexes using two or three fragments P Salvador, M Duran, JJ Dannenberg The Journal of Physical Chemistry A 106 (29), 6883-6889, 2002 | 56 | 2002 |
| C–H⋯ O H-bonded complexes: How does basis set superposition error change their potential-energy surfaces? P Salvador, S Simon, M Duran, JJ Dannenberg The Journal of Chemical Physics 113, 5666, 2000 | 56 | 2000 |
Miquel DuranInstitute of Computational Chemistry and Department of Chemistry, University of Girona (UdG)Verified email at udg.edu
