Publikationen, an denen er mitarbeitet Jose Luis Casals Sainz (17)

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. Bond Order Densities in Real Space

    Journal of Physical Chemistry A, Vol. 124, Núm. 2, pp. 339-352

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

    Theoretical Chemistry Accounts, Vol. 139, Núm. 1

  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. Electronegativity equalization: Taming an old problem with new tools

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 40, pp. 22880-22884

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

    Chemistry - A European Journal

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

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

  7. The Activation Strain Model in the Light of Real Space Energy Partitions

    Zeitschrift fur Anorganische und Allgemeine Chemie, Vol. 646, Núm. 14, pp. 1062-1072

2019

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

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

  2. Exotic Bonding Regimes Uncovered in Excited States

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

  3. On Electrostatics, Covalency, and Chemical Dashes: Physical Interactions versus Chemical Bonds

    Chemistry - A European Journal, Vol. 25, Núm. 1, pp. 309-314

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

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

  5. Tetrel interactions from an interacting quantum atoms perspective

    Molecules, Vol. 24, Núm. 12

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. Dative and Electron-Sharing Bonding in C2F4

    Chemistry - A European Journal, Vol. 24, Núm. 36, pp. 9083-9089

2017

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

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

2016

  1. Partitioning the DFT exchange-correlation energy in line with the interacting quantum atoms approach

    Theoretical Chemistry Accounts, Vol. 135, Núm. 7