Alberto Vela
18PUBLICATIONS
84CO-AUTHORS
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Publications (18)
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|Feb 02, 2026
The interlocking process in molecular machines explained by a combined approach: the nudged elastic band method and machine learning potential.Lucio Peña-Zarate, Alberto Vela, Jorge Tiburcio
|May 19, 2025
Generalized quadratic model for charge transfer.Angel Albavera-Mata, José Luis Gázquez, Alberto Vela
|Nov 21, 2024
Temperature and external fields in conceptual density functional theory.Marco Franco-Pérez, Farnaz Heidar-Zadeh, Paul W Ayers
|Oct 29, 2024
Macrocycle Unidirectional Transport Along a Linear Molecule by a Two-Step Chemical Reaction Sequence.Aldo C Catalán, Lucio Peña-Zarate, Ruy Cervantes
|May 05, 2023
Can we predict ambident regioselectivity using the chemical hardness?Ramón Alain Miranda-Quintana, Alberto Vela, Frank De Proft
|Oct 21, 2022
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science.Andrew M Teale, Trygve Helgaker, Andreas Savin
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Frequent Collaborators
10 joint publications
José Luis Gázquez
4 joint publications
Paul W Ayers
4 joint publications
Javier Carmona-Espíndola
4 joint publications
Samuel B Trickey
3 joint publications
Jorge Tiburcio
3 joint publications
Frank De Proft
2 joint publications
Ruy Cervantes
2 joint publications
Marco Franco-Pérez
2 joint publications
Lucio Peña-Zarate
2 joint publications
Paul Geerlings
