David Ferro-Costas

According to our database, David Ferro-Costas authored at least 7 papers between 2012 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Unraveling the Catalytic Mechanism of β-Cyclodextrin in the Vitamin D Formation.

David Ferro-Costas, Pedro A. Sánchez-Murcia, Antonio Fernández-Ramos

J. Chem. Inf. Model., 2024

2022

Correction to: TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids.

David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos

J. Cheminformatics, 2022

2021

TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids.

David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos

J. Cheminformatics, 2021

2020

<i>Pilgrim</i>: A thermal rate constant calculator and a chemical kinetics simulator.

David Ferro-Costas, Donald G. Truhlar, Antonio Fernández-Ramos

Comput. Phys. Commun., 2020

2018

Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules.

David Ferro-Costas, M. Natália Dias Soeiro Cordeiro, Donald G. Truhlar, Antonio Fernández-Ramos

Comput. Phys. Commun., 2018

2014

Electronegativity estimator built on QTAIM-based domains of the bond electron density.

David Ferro-Costas, Ignacio Pérez-Juste, Ricardo A. Mosquera

J. Comput. Chem., 2014

2012

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.

David Ferro-Costas, Nicolás Otero, Ana M. Graña, Ricardo A. Mosquera

J. Comput. Chem., 2012