David Ferro-Costas

Publication Activity (10 Years)

Years Active: 2012-2024
Publications (10 Years): 5

Top Topics

Program Execution

Chemical Reaction

Top Venues

Comput. Phys. Commun.

J. Cheminformatics

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

David Ferro-Costas, Pedro A. Sánchez-Murcia, Antonio Fernández-Ramos
Unraveling the Catalytic Mechanism of β-Cyclodextrin in the Vitamin D Formation. J. Chem. Inf. Model. 64 (9) (2024)
David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos
Correction to: TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids. J. Cheminformatics 14 (1) (2022)
David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos
TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids. J. Cheminformatics 13 (1) (2021)
David Ferro-Costas, Donald G. Truhlar, Antonio Fernández-Ramos
: A thermal rate constant calculator and a chemical kinetics simulator. Comput. Phys. Commun. 256 (2020)
David Ferro-Costas, M. Natália Dias Soeiro Cordeiro, Donald G. Truhlar, Antonio Fernández-Ramos
Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules. Comput. Phys. Commun. 232 (2018)
David Ferro-Costas, Ignacio Pérez-Juste, Ricardo A. Mosquera
Electronegativity estimator built on QTAIM-based domains of the bond electron density. J. Comput. Chem. 35 (13) (2014)
David Ferro-Costas, Nicolás Otero, Ana M. Graña, Ricardo A. Mosquera
A QTAIM-based energy partitioning for understanding the physical origin of conformational preferences: Application to the Z effect in O=C-X-R and related units. J. Comput. Chem. 33 (32) (2012)