Publicaciones en las que colabora con José Manuel Guevara Vela (15)

2024

  1. Radical revelations: the pnictogen effect in linear acetylenes

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 9, pp. 7718-7730

2023

  1. Atoms in molecules in real space: a fertile field for chemical bonding

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 15, pp. 10231-10262

  2. Wave function analyses of scandium-doped aluminium clusters, AlnSc (n = 1-24), and their CO2 fixation abilities

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 28, pp. 18854-18865

2022

  1. A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives

    Molecules (Basel, Switzerland), Vol. 27, Núm. 18

  2. NNAIMQ: A neural network model for predicting QTAIM charges

    Journal of Chemical Physics, Vol. 156, Núm. 1

  3. Partition of the electronic energy of the PM7 method via the interacting quantum atoms approach

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 32, pp. 19521-19530

2020

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

    Theoretical Chemistry Accounts, Vol. 139, Núm. 1

  2. On the strength of hydrogen bonding within water clusters on the coordination limit

    Journal of Computational Chemistry, Vol. 41, Núm. 26, pp. 2266-2277

  3. Photochemistry in Real Space: Batho- and Hypsochromism in the Water Dimer

    Chemistry - A European Journal

  4. Photochemistry in Real Space: Batho- and Hypsochromism in the Water Dimer

    Chemistry (Weinheim an der Bergstrasse, Germany), Vol. 26, Núm. 71, pp. 17035-17045

2019

  1. Enlace químico en topología química cuántica: enlaces de hidrógeno y otros

    Enlace químico en topología química cuántica: enlaces de hidrógeno y otros

  2. Exotic Bonding Regimes Uncovered in Excited States

    Chemistry - A European Journal, Vol. 25, Núm. 52, pp. 12169-12179

2018

  1. Stability and trans Influence in Fluorinated Gold(I) Coordination Compounds

    European Journal of Inorganic Chemistry, Vol. 2018, Núm. 40, pp. 4413-4420

2017

  1. Hydrogen-Bond Weakening through π Systems: Resonance-Impaired Hydrogen Bonds (RIHB)

    Chemistry - A European Journal, Vol. 23, Núm. 65, pp. 16605-16611

  2. Performance of the RI and RIJCOSX approximations in the topological analysis of the electron density

    Theoretical Chemistry Accounts, Vol. 136, Núm. 5