David Ferro-Costas

Orcid: 0000-0002-8365-4047

According to our database1, David Ferro-Costas authored at least 7 papers between 2012 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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PhD thesis 
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Links

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Bibliography

2024
Unraveling the Catalytic Mechanism of β-Cyclodextrin in the Vitamin D Formation.
J. Chem. Inf. Model., 2024

2022
Correction to: TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids.
J. Cheminformatics, 2022

2021
TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids.
J. Cheminformatics, 2021

2020
<i>Pilgrim</i>: A thermal rate constant calculator and a chemical kinetics simulator.
Comput. Phys. Commun., 2020

2018
Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules.
Comput. Phys. Commun., 2018

2014
Electronegativity estimator built on QTAIM-based domains of the bond electron density.
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.
J. Comput. Chem., 2012


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