| A proper account of core-polarization with pseudopotentials: single valence-electron alkali compounds P Fuentealba, H Preuss, H Stoll, L Von Szentpály Chemical Physics Letters 89 (5), 418-422, 1982 | 1104 | 1982 |
| A direct evaluation of regional Fukui functions in molecules RR Contreras, P Fuentealba, M Galván, P Pérez Chemical Physics Letters 304 (5-6), 405-413, 1999 | 521 | 1999 |
| On the condensed Fukui function P Fuentealba, P Pérez, R Contreras The Journal of Chemical Physics 113 (7), 2544-2551, 2000 | 455 | 2000 |
| Variation of the electrophilicity index along the reaction path E Chamorro, PK Chattaraj, P Fuentealba The Journal of Physical Chemistry A 107 (36), 7068-7072, 2003 | 330 | 2003 |
| Pseudopotential calculations on Rb+ 2, Cs+ 2, RbH+, CsH+ and the mixed alkali dimer ions L von Szentpály, P Fuentealba, H Preuss, H Stoll Chemical Physics Letters 93 (6), 555-559, 1982 | 326 | 1982 |
| Pseudopotential calculations for alkaline-earth atoms P Fuentealba, L Von Szentpaly, H Preuss, H Stoll Journal of Physics B: Atomic and Molecular Physics 18 (7), 1287, 1985 | 296 | 1985 |
| Sigma–pi separation of the electron localization function and aromaticity JC Santos, W Tiznado, R Contreras, P Fuentealba The Journal of chemical physics 120 (4), 1670-1673, 2004 | 263 | 2004 |
| Higher‐order derivatives in density‐functional theory, especially the hardness derivative∂ η/∂ N P Fuentealba, RG Parr The Journal of chemical physics 94 (8), 5559-5564, 1991 | 236 | 1991 |
| On the reliability of semi-empirical pseudopotentials: simulation of Hartree-Fock and Dirac-Fock results P Fuentealba, H Stoll, L Von Szentpaly, P Schwerdtfeger, H Preuss Journal of Physics B: Atomic and Molecular Physics 16 (11), L323, 1983 | 229 | 1983 |
| Chemical reactivity descriptors for ambiphilic reagents: dual descriptor, local hypersoftness, and electrostatic potential C Cárdenas, N Rabi, PW Ayers, C Morell, P Jaramillo, P Fuentealba The Journal of Physical Chemistry A 113 (30), 8660-8667, 2009 | 221 | 2009 |
| Understanding and using the electron localization function P Fuentealba, E Chamorro, JC Santos Theoretical and computational chemistry 19, 57-85, 2007 | 201 | 2007 |
| An aromaticity scale based on the topological analysis of the electron localization function including σ and π contributions JC Santos, J Andres, A Aizman, P Fuentealba Journal of chemical theory and computation 1 (1), 83-86, 2005 | 195 | 2005 |
| Definition of a nucleophilicity scale P Jaramillo, P Perez, R Contreras, W Tiznado, P Fuentealba The Journal of Physical Chemistry A 110 (26), 8181-8187, 2006 | 172 | 2006 |
| Condensation of frontier molecular orbital Fukui functions FA Bulat, E Chamorro, P Fuentealba, A Toro-Labbe The Journal of Physical Chemistry A 108 (2), 342-349, 2004 | 170 | 2004 |
| Ground‐state properties of alkali dimers XY (X, Y= Li to Cs) G Igel‐Mann, U Wedig, P Fuentealba, H Stoll The Journal of chemical physics 84 (9), 5007-5012, 1986 | 164 | 1986 |
| Validity of the minimum polarizability principle in molecular vibrations and internal rotations: An ab initio SCF study PK Chattaraj, P Fuentealba, P Jaque, A Toro-Labbé The Journal of Physical Chemistry A 103 (46), 9307-9312, 1999 | 152 | 1999 |
| Cu and Ag as one‐valence‐electron atoms: CI results and quadrupole corrections for Cu2, Ag2, CuH, and AgH H Stoll, P Fuentealba, P Schwerdtfeger, J Flad, L Szentpály, H Preuss The Journal of chemical physics 81 (6), 2732-2736, 1984 | 148 | 1984 |
| DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ... Physical chemistry chemical physics 24 (47), 28700-28781, 2022 | 140 | 2022 |
| Cu and Ag as one‐valence‐electron atoms: Pseudopotential results for Cu2, Ag2, CuH, AgH, and the corresponding cations H Stoll, P Fuentealba, M Dolg, J Flad, L Szentpály, H Preuss The Journal of chemical physics 79 (11), 5532-5542, 1983 | 135 | 1983 |
| Topological analysis of the Fukui function P Fuentealba, E Florez, W Tiznado Journal of chemical theory and computation 6 (5), 1470-1478, 2010 | 131 | 2010 |
