| Copper active sites in biology EI Solomon, DE Heppner, EM Johnston, JW Ginsbach, J Cirera, ... Chemical reviews 114 (7), 3659-3853, 2014 | 1706 | 2014 |
| 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 | 1063 | 2005 |
| SHAPE, version 2.1 M Llunell, D Casanova, J Cirera, P Alemany, S Alvarez Universitat de Barcelona, Barcelona, Spain 2103, 2013 | 888 | 2013 |
| 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 | 446 | 2004 |
| Chemically Crosslinked Isoreticular Metal-Organic Frameworks†‡ SM Cohen Chem. Commun., 2013 | 298* | 2013 |
| SHAPE v. 2.1 M Llunell, D Casanova, J Cirera, P Alemany, S Alvarez University of Barcelona: Barcelona, Spain, 2013 | 280 | 2013 |
| Shape M Llunell, D Casanova, J Cirera, P Alemany, S Alvarez Program for the Stereochemical Analysis of Molecular Fragments by Means of …, 2013 | 270 | 2013 |
| 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 | 217 | 2004 |
| MIL-101 (Fe) as a lithium-ion battery electrode material: a relaxation and intercalation mechanism during lithium insertion JW Shin, M Kim, J Cirera, S Chen, GJ Halder, TA Yersak, F Paesani, ... Journal of Materials Chemistry A 3 (8), 4738-4744, 2015 | 209 | 2015 |
| How to build molecules with large magnetic anisotropy J Cirera, E Ruiz, S Alvarez, F Neese, J Kortus Chemistry–A European Journal 15 (16), 4078-4087, 2009 | 198 | 2009 |
| Spin density distribution in transition metal complexes E Ruiz, J Cirera, S Alvarez Coordination Chemistry Reviews 249 (23), 2649-2660, 2005 | 197 | 2005 |
| Shape and Spin State in Four‐Coordinate Transition‐Metal Complexes: The Case of the d6 Configuration J Cirera, E Ruiz, S Alvarez Chemistry–A European Journal 12 (11), 3162-3167, 2006 | 191 | 2006 |
| Can large magnetic anisotropy and high spin really coexist? E Ruiz, J Cirera, J Cano, S Alvarez, C Loose, J Kortus Chemical Communications, 52-54, 2008 | 184 | 2008 |
| Accurate computed enthalpies of spin crossover in iron and cobalt complexes KP Jensen, J Cirera The Journal of Physical Chemistry A 113 (37), 10033-10039, 2009 | 182 | 2009 |
| Benchmarking density functional methods for calculation of state energies of first row spin-crossover molecules J Cirera, M Via-Nadal, E Ruiz Inorganic chemistry 57 (22), 14097-14105, 2018 | 169 | 2018 |
| Continuous shape measures as a stereochemical tool in organometallic chemistry J Cirera, E Ruiz, S Alvarez Organometallics 24 (7), 1556-1562, 2005 | 160 | 2005 |
| Theoretical prediction of spin-crossover temperatures in ligand-driven light-induced spin change systems J Cirera, F Paesani Inorganic chemistry 51 (15), 8194-8201, 2012 | 129 | 2012 |
| Classical molecular interaction potentials: improved setup procedure in molecular dynamics simulations of proteins JL Gelpí, SG Kalko, X Barril, J Cirera, X de la Cruz, FJ Luque, M Orozco Proteins: Structure, Function, and Bioinformatics 45 (4), 428-437, 2001 | 108 | 2001 |
| Stereochemistry and spin state in four-coordinate transition metal compounds J Cirera, E Ruiz, S Alvarez Inorganic chemistry 47 (7), 2871-2889, 2008 | 105 | 2008 |
| Computational assessment on the Tolman cone angles for P-ligands J Jover, J Cirera Dalton Transactions 48 (40), 15036-15048, 2019 | 87 | 2019 |