David Ferro‐Costas

Pilgrim: A thermal rate constant calculator and a chemical kinetics simulator

David Ferro‐Costas, Donald G. Truhlar, Antonio Fernández‐Ramos · Computer Physics Communications · 2020 · 67 citations · Full text

Engineering, Differential Scanning Calorimetry, Simulation +12

Beyond the molecular orbital conception of electronically excited states through the quantum theory of atoms in molecules

David Ferro‐Costas, Ángel Martín Pendás, Leticia González et al. · Physical Chemistry Chemical Physics · 2014 · 48 citations · Full text

Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals

David Ferro‐Costas, Emilio Martínez‐Núñez, Jesús Rodríguez‐Otero et al. · The Journal of Physical Chemistry A · 2018 · 47 citations · Full text

Engineering, Computational Chemistry, Chemistry +20

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

David Ferro‐Costas, Irea Mosquera‐Lois, Antonio Fernández‐Ramos · Journal of Cheminformatics · 2021 · 47 citations · Full text

A Combined Systematic-Stochastic Algorithm for the Conformational Search in Flexible Acyclic Molecules

David Ferro‐Costas, Antonio Fernández‐Ramos · Frontiers in Chemistry · 2020 · 34 citations · Full text

Combined Systematic-stochastic Algorithm, Engineering, Molecular Biology +26