Publicaciones (8) Publicaciones de Fernando Jiménez Grávalos

2021

  1. A Quantum Chemical Topology Picture of Intermolecular Electrostatic Interactions and Charge Penetration Energy

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 8, pp. 4981-4995

  2. Challenging the electrostatic σ-hole picture of halogen bonding using minimal models and the interacting quantum atoms approach

    Journal of Computational Chemistry, Vol. 42, Núm. 10, pp. 676-687

2020

  1. DFT performance in the IQA energy partition of small water clusters

    Theoretical Chemistry Accounts, Vol. 139, Núm. 1

2019

  1. Electron-pair bonding in real space. Is the charge-shift family supported?

    Chemical Communications, Vol. 55, Núm. 35, pp. 5071-5074

  2. Fluorine conformational effects characterized by energy decomposition analysis

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 45, pp. 25258-25275

2018

  1. Beryllium Bonding in the Light of Modern Quantum Chemical Topology Tools

    Journal of Physical Chemistry A, Vol. 122, Núm. 3, pp. 849-858

  2. Interacting Quantum Atoms Approach and Electrostatic Solvation Energy: Assessing Atomic and Group Solvation Contributions

    ChemPhysChem, Vol. 19, Núm. 24, pp. 3425-3435

2017

  1. Lattice-Solvent Effects in the Spin-Crossover of an Fe(II)-Based Material. the Key Role of Intermolecular Interactions between Solvent Molecules

    Inorganic Chemistry, Vol. 56, Núm. 8, pp. 4474-4483