| The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials S Vela, F Mota, M Deumal, R Suizu, Y Shuku, A Mizuno, K Awaga, ... Nature communications 5 (1), 4411, 2014 | 79 | 2014 |
| Towards an accurate and computationally-efficient modelling of Fe (II)-based spin crossover materials S Vela, M Fumanal, J Ribas-Arino, V Robert Physical Chemistry Chemical Physics 17 (25), 16306-16314, 2015 | 74 | 2015 |
| Spin State Chemistry: Modulation of Ligand pKa by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex S Dhers, A Mondal, D Aguilà, J Ramirez, S Vela, P Dechambenoit, ... Journal of the American Chemical Society 140 (26), 8218-8227, 2018 | 73 | 2018 |
| Insights into the crystal-packing effects on the spin crossover of [Fe II (1-bpp)] 2+-based materials S Vela, JJ Novoa, J Ribas-Arino Physical Chemistry Chemical Physics 16 (48), 27012-27024, 2014 | 72 | 2014 |
| Thermal spin crossover in Fe (II) and Fe (III). Accurate spin state energetics at the solid state S Vela, M Fumanal, J Cirera, J Ribas-Arino Physical Chemistry Chemical Physics 22 (9), 4938-4945, 2020 | 53 | 2020 |
| A molecular dynamics simulation of methane adsorption in single walled carbon nanotube bundles S Vela, F Huarte-Larrañaga Carbon 49 (13), 4544-4553, 2011 | 53 | 2011 |
| Lattice-solvent effects in the spin-crossover of an Fe (II)-based material. The key role of intermolecular interactions between solvent molecules M Fumanal, F Jimenez-Gravalos, J Ribas-Arino, S Vela Inorganic Chemistry 56 (8), 4474-4483, 2017 | 47 | 2017 |
| Dynamical effects on the magnetic properties of dithiazolyl bistable materials S Vela, M Deumal, M Shiga, JJ Novoa, J Ribas-Arino Chemical science 6 (4), 2371-2381, 2015 | 44 | 2015 |
| Cooperativity in Spin Crossover Systems. An Atomistic Perspective on the Devil’s Staircase S Vela, H Paulsen Inorganic Chemistry 57 (15), 9478-9488, 2018 | 42 | 2018 |
| On the zeroth‐order hamiltonian for CASPT 2 calculations of spin crossover compounds S Vela, M Fumanal, J Ribas‐Ariño, V Robert Journal of Computational Chemistry 37 (10), 947-953, 2016 | 40 | 2016 |
| Insights into the magnetism and phase transitions of organic radical-based materials M Deumal, S Vela, M Fumanal, J Ribas-Arino, JJ Novoa Journal of Materials Chemistry C 9 (33), 10624-10646, 2021 | 38 | 2021 |
| Bi-stable spin-crossover characteristics of a highly distorted [Fe (1-BPP-COOC 2 H 5) 2](ClO 4) 2· CH 3 CN complex KS Kumar, B Heinrich, S Vela, E Moreno-Pineda, C Bailly, M Ruben Dalton Transactions 48 (12), 3825-3830, 2019 | 38 | 2019 |
| Luminescent dinuclear Copper (I) complexes as potential thermally activated delayed fluorescence (TADF) emitters: A theoretical study A Stoïanov, C Gourlaouen, S Vela, C Daniel The Journal of Physical Chemistry A 122 (5), 1413-1421, 2018 | 38 | 2018 |
| A probe of steric ligand substituent effects on the spin crossover of Fe (II) complexes C Bartual-Murgui, S Vela, M Darawsheh, R Diego, SJ Teat, O Roubeau, ... Inorganic Chemistry Frontiers 4 (8), 1374-1383, 2017 | 38 | 2017 |
| Designing singlet fission candidates from donor–acceptor copolymers JT Blaskovits, M Fumanal, S Vela, C Corminboeuf Chemistry of Materials 32 (15), 6515-6524, 2020 | 36 | 2020 |
| Bistability in Organic Magnetic Materials: A Comparative Study of the Key Differences between Hysteretic and Non‐hysteretic Spin Transitions in Dithiazolyl Radicals S Vela, MB Reardon, CE Jakobsche, MM Turnbull, J Ribas‐Arino, ... Chemistry–A European Journal 23 (14), 3479-3489, 2017 | 33 | 2017 |
| OSCAR: an extensive repository of chemically and functionally diverse organocatalysts S Gallarati, P van Gerwen, R Laplaza, S Vela, A Fabrizio, C Corminboeuf Chemical Science 13 (46), 13782-13794, 2022 | 31 | 2022 |
| Three redox states of a diradical acceptor–donor–acceptor triad: gating the magnetic coupling and the electron delocalization M Souto, V Lloveras, S Vela, M Fumanal, I Ratera, J Veciana The Journal of Physical Chemistry Letters 7 (12), 2234-2239, 2016 | 29 | 2016 |
| Dividing the Spoils: Role of Pyrazine Ligands and Perchlorate Counterions in the Magnetic Properties of Bis(pyrazine)diperchloratecopper(II), [Cu(pz)2](ClO4)2 S Vela, J Jornet-Somoza, MM Turnbull, R Feyerherm, JJ Novoa, ... Inorganic Chemistry 52 (22), 12923-12932, 2013 | 28 | 2013 |
| Deciphering crystal packing effects in the spin crossover of six [Fe II (2-pic) 3] Cl 2 solvatomorphs S Vela, H Paulsen Dalton Transactions 48 (4), 1237-1245, 2019 | 27 | 2019 |
Jordi RibasAssociate Professor, University of BarcelonaE-mail confirmado em ub.edu
