Theoretical study of substituted methyl mercury in gas phase and in solution. - Anibal Sierraalta; Rafael Añez; Angel Camejo; Paola Alejos (J. Comput. Methods Sci. Eng., 2009)

Theoretical ONIOM2/DFT study of Pd/ZSM-5 catalyst: CO and NO adsorption. - Anibal Sierraalta; Rafael Añez; Dianela Rincón (J. Comput. Methods Sci. Eng., 2014)

DFT study of the sulfidation pretreatment of molybdenum carbides in the hydrodechlorination reaction of chlorobenzene. - Milagros Velásquez; Alba B. Vidal; Anelisse Bastardo; Raquel del Toro; Jesús Rodríguez; Rafael Añez; Paulino Betancourt; Joaquín L. Brito; Yosslen Aray; David Santiago Coll (J. Comput. Methods Sci. Eng., 2014)

Optimal pre-sulfidation of the β-Mo2C surface (001) in the chlorobencene hydrodechlorination: An electrostatic potential study. - Milagros Velásquez; Jesús Rodríguez; Anelisse Bastardo; Rafael Añez; David Santiago Coll (J. Comput. Methods Sci. Eng., 2017)