Exploring the relevance of thiophene rings as bridge unit in acceptor-bridge-donor dyes on self-aggregation and performance in DSSCs. - Ximena Zarate; Mario Saavedra-Torres; Angela Rodriguez-Serrano; Tatiana Gomez; Eduardo Schott (J. Comput. Chem., 2018)

Sensing mechanism elucidation of a europium(III ) metal-organic framework selective to aniline: A theoretical insight by means of multiconfigurational calculations. - Yoan Hidalgo-Rosa; Manuel A. Treto-Suárez; Eduardo Schott; Ximena Zarate; Dayán Páez-Hernández (J. Comput. Chem., 2020)

DFT/MRCI assessment of the excited-state interplay in a coumarin-schiff Mg2+ fluorescent sensor. - Ximena Zarate; Angela Rodriguez-Serrano; Eduardo Schott; Jörg Tatchen (J. Comput. Chem., 2020)

The quest for a bidirectional auxetic, elastic, and enhanced fracture toughness material: Revisiting the mechanical properties of the BeH2 monolayers. - Armando A. Morin-Martinez; Jessica Arcudia; Ximena Zarate; Miguel Eduardo Cifuentes-Quintal; Gabriel Merino (J. Comput. Chem., 2023)