Publicaciones en las que colabora con MARIA AURORA COSTALES CASTRO (30)

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. Open quantum systems, electron distribution functions, fragment natural orbitals, and the quantum theory of atoms in molecules

    Advances in Quantum Chemical Topology Beyond QTAIM (Elsevier), pp. 193-223

2021

  1. Lewis Structures from Open Quantum Systems Natural Orbitals: Real Space Adaptive Natural Density Partitioning

    Journal of Physical Chemistry A, Vol. 125, Núm. 18, pp. 4013-4025

  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. Bond Order Densities in Real Space

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

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

    Chemistry - A European Journal

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

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

  2. 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. Real-Space In Situ Bond Energies: Toward A Consistent Energetic Definition of Bond Strength

    Chemistry - A European Journal, Vol. 24, Núm. 36, pp. 9101-9112

2017

  1. A multipolar approach to the interatomic covalent interaction energy

    Journal of Computational Chemistry, Vol. 38, Núm. 11, pp. 816-829

  2. 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

2016

  1. Emergent Scalar and Vector Fields in Quantum Chemical Topology

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

2015

  1. An energy partition method based on localized molecular orbitals

    Computational and Theoretical Chemistry, Vol. 1053, pp. 77-84

2014

  1. On the interpretation of domain averaged Fermi hole analyses of correlated wavefunctions

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 10, pp. 4586-4597

2013

  1. Perspectives for quantum chemical topology in crystallography

    Physica Scripta, Vol. 87, Núm. 4

  2. Theoretical simulation of AlN nanobelts and nanorings

    Computers, Materials and Continua, Vol. 38, Núm. 2, pp. 105-128

2012

  1. Erratum: Performance of the density matrix functional theory in the quantum theory of atoms in molecules (Journal of Physical Chemistry A (2012) 116:4 (237-250) DOI: 10.1021/jp204001n)

    Journal of Physical Chemistry A

  2. Performance of the density matrix functional theory in the quantum theory of atoms in molecules

    Journal of Physical Chemistry A, Vol. 116, Núm. 4, pp. 1237-1250