Jesús Hernández-Trujillo | QTCOVI – Theoretical and Computational Chemistry

Jesús Hernández-Trujillo | QTCOVI – Theoretical and Computational Chemistryhttps://qtcovi.github.io/author/jesus-hernandez-trujillo/Jesús Hernández-TrujilloHugo Blox Builder (https://hugoblox.com)en-usThu, 01 Jan 2026 00:00:00 +0000https://qtcovi.github.io/media/icon_hu11734318148517933569.pngJesús Hernández-Trujillohttps://qtcovi.github.io/author/jesus-hernandez-trujillo/Local spin of atoms in molecules: relation to electron localization and delocalizationhttps://qtcovi.github.io/publication/2026-local-spin-of-atoms-in-molecules-relation-to-electron-localization-and-delocaliz/Thu, 01 Jan 2026 00:00:00 +0000https://qtcovi.github.io/publication/2026-local-spin-of-atoms-in-molecules-relation-to-electron-localization-and-delocaliz/A Dynamical Density Field That Shows the Localizability of Electrons: The Exchange-Correlation Ehrenfest Forcehttps://qtcovi.github.io/publication/2024-a-dynamical-density-field-that-shows-the-localizability-of-electrons-the-exchang/Mon, 01 Jan 2024 00:00:00 +0000https://qtcovi.github.io/publication/2024-a-dynamical-density-field-that-shows-the-localizability-of-electrons-the-exchang/The Ehrenfest force field: A perspective based on electron density functionshttps://qtcovi.github.io/publication/2023-the-ehrenfest-force-field-a-perspective-based-on-electron-density-functions/Sun, 01 Jan 2023 00:00:00 +0000https://qtcovi.github.io/publication/2023-the-ehrenfest-force-field-a-perspective-based-on-electron-density-functions/Implementation of the interacting quantum atom energy decomposition using the CASPT2 methodhttps://qtcovi.github.io/publication/2021-implementation-of-the-interacting-quantum-atom-energy-decomposition-using-the-ca/Fri, 01 Jan 2021 00:00:00 +0000https://qtcovi.github.io/publication/2021-implementation-of-the-interacting-quantum-atom-energy-decomposition-using-the-ca/Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Spacehttps://qtcovi.github.io/publication/2019-chemical-bonding-in-excited-states-electron-localization-delocalization-and-stat/Tue, 01 Jan 2019 00:00:00 +0000https://qtcovi.github.io/publication/2019-chemical-bonding-in-excited-states-electron-localization-delocalization-and-stat/The Rotational Barrier of Ethane and Some of its Hexasubstituted Derivatives in Terms of the Forces acting on the Electron Distributionhttps://qtcovi.github.io/publication/2015-the-rotational-barrier-of-ethane-and-some-of-its-hexasubstituted-derivatives-in-/Thu, 01 Jan 2015 00:00:00 +0000https://qtcovi.github.io/publication/2015-the-rotational-barrier-of-ethane-and-some-of-its-hexasubstituted-derivatives-in-/