Conformational analysis of model compounds of vitamin D by theoretical calculations. - Emilio Martínez-Núñez; Saulo A. Vázquez; Ricardo A. Mosquera (J. Comput. Chem., 1997)

GAFit: A general-purpose, user-friendly program for fitting potential energy surfaces. - Roberto Rodríguez-Fernández; Francisco B. Pereira; Jorge M. C. Marques; Emilio Martínez-Núñez; Saulo A. Vázquez (Comput. Phys. Commun., 2017)

tsscds2018: A code for automated discovery of chemical reaction mechanisms and solving the kinetics. - Aurelio Rodríguez; Roberto Rodríguez-Fernández; Saulo A. Vázquez; George L. Barnes; James J. P. Stewart; Emilio Martínez-Núñez (J. Comput. Chem., 2018)

AutoMeKin2021: An open-source program for automated reaction discovery. - Emilio Martínez-Núñez; George L. Barnes; David R. Glowacki; Sabine Kopec; Daniel Peláez; Aurelio Rodríguez; Roberto Rodríguez-Fernández; Robin J. Shannon; James J. P. Stewart; Pablo G. Tahoces; Saulo A. Vázquez (J. Comput. Chem., 2021)