DOIT: a program to calculate thermal rate constants and mode-specific tunneling splittings directly from quantum-chemical calculations. - Zorka Smedarchina; Antonio Fernández-Ramos; Willem Siebrand (J. Comput. Chem., 2001)

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)

Pilgrim: A thermal rate constant calculator and a chemical kinetics simulator. - David Ferro-Costas; Donald G. Truhlar; Antonio Fernández-Ramos (Comput. Phys. Commun., 2020)

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)

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)

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)

Polyrate 2023: A computer program for the calculation of chemical reaction rates for polyatomics. New version announcement. - Rubén Meana-Pañeda; Jingjing Zheng; Junwei Lucas Bao; Shuxia Zhang; Benjamin J. Lynch; José C. Corchado; Yao-Yuan Chuang; Patton L. Fast; Wei-Ping Hu; Yi-Ping Liu; Gillian C. Lynch; Kiet A. Nguyen; et al. (Comput. Phys. Commun., 2024)