Publicaciones en las que colabora con José Manuel Guevara Vela (35)

2024

  1. Does Aromaticity Play a Role in Electronic and Structural Properties of YBn (n=2–14) Clusters?

    ChemPhysChem

  2. New global minimum conformers for the Pt19 and Pt20 clusters: low symmetric species featuring different active sites

    Journal of Molecular Modeling, Vol. 30, Núm. 9

  3. 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. Computation of photovoltaic and stability properties of hybrid organic–inorganic perovskites via convolutional neural networks

    Theoretical Chemistry Accounts, Vol. 141, Núm. 4

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

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

  4. 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

  5. Stronger-together: The cooperativity of aurophilic interactions

    Chemical Communications, Vol. 58, Núm. 9, pp. 1398-1401

2021

  1. On the relationship between hydrogen bond strength and the formation energy in resonance-assisted hydrogen bonds

    Molecules, Vol. 26, Núm. 14

  2. The nature of the intermolecular interaction in (H2X)2(X = O, S, Se)

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 16, pp. 10097-10107

2020

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

    Theoretical Chemistry Accounts, Vol. 139, Núm. 1

  2. Directing the Crystal Packing in Triphenylphosphine Gold(I) Thiolates by Ligand Fluorination

    Inorganic chemistry, Vol. 59, Núm. 13, pp. 8667-8677

  3. Efficient implementation of the interacting quantum atoms energy partition of the second-order Møller–Plesset energy

    Journal of Computational Chemistry, Vol. 41, Núm. 13, pp. 1234-1241

  4. Interacting Quantum Atoms—A Review

    Molecules, Vol. 25, Núm. 17

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

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

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

    Chemistry - A European Journal

  7. 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. Exotic Bonding Regimes Uncovered in Excited States

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