| 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 |
| Challenging the electrostatic σ‐hole picture of halogen bonding using minimal models and the interacting quantum atoms approach F Jiménez‐Grávalos, M Gallegos, A Martin Pendas, AS Novikov Journal of Computational Chemistry 42 (10), 676-687, 2021 | 26 | 2021 |
| Beryllium bonding in the light of modern quantum chemical topology tools JL Casals-Sainz, F Jiménez-Grávalos, A Costales, E Francisco, ... The Journal of Physical Chemistry A 122 (3), 849-858, 2018 | 25 | 2018 |
| Fluorine conformational effects characterized by energy decomposition analysis N Díaz, F Jiménez-Grávalos, D Suárez, E Francisco, Á Martín-Pendás Physical Chemistry Chemical Physics 21 (45), 25258-25275, 2019 | 16 | 2019 |
| A Quantum Chemical Topology Picture of Intermolecular Electrostatic Interactions and Charge Penetration Energy F Jiménez-Grávalos, D Suárez Journal of Chemical Theory and Computation 17 (8), 4981-4995, 2021 | 14 | 2021 |
| Electron-pair bonding in real space. Is the charge-shift family supported? JL Casals-Sainz, F Jiménez-Grávalos, E Francisco, ÁM Pendás Chemical communications 55 (35), 5071-5074, 2019 | 7 | 2019 |
| Interacting Quantum Atoms Approach and Electrostatic Solvation Energy: Assessing Atomic and Group Solvation Contributions F Jiménez‐Grávalos, N Díaz, E Francisco, Á Martín‐Pendás, D Suárez ChemPhysChem 19 (24), 3425-3435, 2018 | 7 | 2018 |
| DFT performance in the IQA energy partition of small water clusters F Jiménez-Grávalos, JL Casals-Sainz, E Francisco, T Rocha-Rinza, ... Theoretical Chemistry Accounts 139 (1), 5, 2020 | 6 | 2020 |
| New perspectives in IQA: from biochemical applications to controversial chemical bonds F Jiménez Grávalos | | 2022 |
| Lattice-solvent effects in the spin-crossover of an Fe (II)-based material. The key role of intermolecular interactions between solvent molecules M Fumanal Quintana, F Jimenez-Gravalos, J Ribas Ariño, S Vela Llausí Inorganic Chemistry, 2017, vol. 56, num. 8, p. 4474-4483, 2017 | | 2017 |
