Publicacións nas que colabora con José Manuel Guevara Vela (15)

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

2022

  1. 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

2021

  1. 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

2019

  1. Exotic Bonding Regimes Uncovered in Excited States

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

  2. Partition of electronic excitation energies: The IQA/EOM-CCSD method

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 25, pp. 13428-13439

2017

  1. An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 3, pp. 1790-1797

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

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

2016

  1. Emergent Scalar and Vector Fields in Quantum Chemical Topology

    Challenges and Advances in Computational Chemistry and Physics (Springer), pp. 131-150

  2. Hydrogen bond cooperativity and anticooperativity within the water hexamer

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

2013

  1. Hydrogen-bond cooperative effects in small cyclic water clusters as revealed by the interacting quantum atoms approach

    Chemistry - A European Journal, Vol. 19, Núm. 42, pp. 14304-14315