Publicaciones en colaboración con investigadores/as de Universidad Nacional Autónoma de México (13)

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. The Ehrenfest force field: A perspective based on electron density functions

    The Journal of chemical physics, Vol. 159, Núm. 23

2021

  1. Implementation of the interacting quantum atom energy decomposition using the CASPT2 method

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 48, pp. 27508-27519

  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. 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

  3. Interacting Quantum Atoms—A Review

    Molecules, Vol. 25, Núm. 17

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

    Chemistry - A European Journal

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

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

2017

  1. Where Does Electron Correlation Lie? Some Answers from a Real Space Partition

    ChemPhysChem, Vol. 18, Núm. 24, pp. 3553-3561

2016

  1. Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities

    Journal of Computational Chemistry, pp. 1753-1765

  2. Fermi and Coulomb correlation effects upon the interacting quantum atoms energy partition

    Theoretical Chemistry Accounts, Vol. 135, Núm. 9

  3. Hydrogen bond cooperativity and anticooperativity within the water hexamer

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 29, pp. 19557-19566