| Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes E Ruiz, J Cano, S Alvarez, P Alemany Journal of computational chemistry 20 (13), 1391-1400, 1999 | 995 | 1999 |
| Shape maps and polyhedral interconversion paths in transition metal chemistry S Alvarez, P Alemany, D Casanova, J Cirera, M Llunell, D Avnir Coordination chemistry reviews 249 (17-18), 1693-1708, 2005 | 976 | 2005 |
| Toward the prediction of magnetic coupling in molecular systems: hydroxo-and alkoxo-bridged Cu (II) binuclear complexes E Ruiz, P Alemany, S Alvarez, J Cano Journal of the American Chemical Society 119 (6), 1297-1303, 1997 | 944 | 1997 |
| The rich stereochemistry of eight‐vertex polyhedra: a continuous shape measures study D Casanova, M Llunell, P Alemany, S Alvarez Chemistry–A European Journal 11 (5), 1479-1494, 2005 | 789 | 2005 |
| SHAPE, version 2.1 M Llunell, D Casanova, J Cirera, P Alemany, S Alvarez Universitat de Barcelona, Barcelona, Spain 2103, 2013 | 771 | 2013 |
| Magnetic coupling in end-on azido-bridged transition metal complexes: A density functional study E Ruiz, J Cano, S Alvarez, P Alemany Journal of the American Chemical Society 120 (43), 11122-11129, 1998 | 769 | 1998 |
| About the calculation of exchange coupling constants in polynuclear transition metal complexes E Ruiz, A Rodríguez‐Fortea, J Cano, S Alvarez, P Alemany Journal of computational chemistry 24 (8), 982-989, 2003 | 532 | 2003 |
| Structural modeling and magneto− structural correlations for hydroxo-bridged copper (II) binuclear complexes E Ruiz, P Alemany, S Alvarez, J Cano Inorganic chemistry 36 (17), 3683-3688, 1997 | 470 | 1997 |
| Minimal distortion pathways in polyhedral rearrangements D Casanova, J Cirera, M Llunell, P Alemany, D Avnir, S Alvarez Journal of the American Chemical Society 126 (6), 1755-1763, 2004 | 401 | 2004 |
| Distortions in Octahedrally Coordinated d0 Transition Metal Oxides: A Continuous Symmetry Measures Approach KM Ok, PS Halasyamani, D Casanova, M Llunell, P Alemany, S Alvarez Chemistry of materials 18 (14), 3176-3183, 2006 | 357 | 2006 |
| Exchange Coupling in Carboxylato‐Bridged Dinuclear Copper(II) Compounds: A Density Functional Study A Rodríguez‐Fortea, P Alemany, S Alvarez, E Ruiz Chemistry–A European Journal 7 (3), 627-637, 2001 | 341 | 2001 |
| SHAPE v. 2.1 M Llunell, D Casanova, J Cirera, P Alemany, S Alvarez University of Barcelona: Barcelona, Spain, 2013 | 259 | 2013 |
| Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n = 1−9) G Portella, J Poater, JM Bofill, P Alemany, M Sola The Journal of organic chemistry 70 (7), 2509-2521, 2005 | 252 | 2005 |
| Shape and Symmetry of Heptacoordinate Transition‐Metal Complexes: Structural Trends D Casanova, P Alemany, JM Bofill, S Alvarez Chemistry–A European Journal 9 (6), 1281-1295, 2003 | 252 | 2003 |
| Shape M Llunell, D Casanova, J Cirera, P Alemany, S Alvarez Program for the Stereochemical Analysis of Molecular Fragments by Means of …, 2013 | 245 | 2013 |
| Exchange Coupling in Oxalato‐Bridged Copper(II) Binuclear Compounds: A Density Functional Study J Cano, P Alemany, S Alvarez, M Verdaguer, E Ruiz Chemistry–A European Journal 4 (3), 476-484, 1998 | 223 | 1998 |
| Mapping the stereochemistry and symmetry of tetracoordinate transition‐metal complexes J Cirera, P Alemany, S Alvarez Chemistry–A European Journal 10 (1), 190-207, 2004 | 204 | 2004 |
| Electronic structure and properties of AlN E Ruiz, S Alvarez, P Alemany Physical Review B 49 (11), 7115, 1994 | 203 | 1994 |
| Electronic structure and properties of Cu 2 O E Ruiz, S Alvarez, P Alemany, RA Evarestov Physical Review B 56 (12), 7189, 1997 | 201 | 1997 |
| Calculation of exchange coupling constants in solid state transition metal compounds using localized atomic orbital basis sets E Ruiz, M Llunell, P Alemany Journal of Solid State Chemistry 176 (2), 400-411, 2003 | 162 | 2003 |
