The mechanism of double proton transfer in dimers of uracil and 2-thiouracil - The reaction force perspective. - Al Mokhtar Lamsabhi; Otilia Mó; Soledad Gutiérrez-Oliva; Patricia Pérez; Alejandro Toro-Labbé; Manuel Yáñez (J. Comput. Chem., 2009)

The role of water in the proton transfer reaction mechanism in tryptophan. - Esteban Vöhringer-Martinez; Alejandro Toro-Labbé (J. Comput. Chem., 2010)

Effects of the ionization in the tautomerism of uracil: A reaction electronic flux perspective. - Al Mokhtar Lamsabhi; Soledad Gutiérrez-Oliva; Otilia Mó; Alejandro Toro-Labbé; Manuel Yáñez (J. Comput. Chem., 2015)

The catalytic effect of the NH3 base on the chemical events in the caryolene-forming carbocation cascade. - Daniela E. Ortega; Quynh Nhu N. Nguyen; Dean J. Tantillo; Alejandro Toro-Labbé (J. Comput. Chem., 2016)

Chemical potential and reaction electronic flux in symmetry controlled reactions. - Stefan Vogt-Geisse; Alejandro Toro-Labbé (J. Comput. Chem., 2016)

ETS-NOCV Decomposition of the Reaction Force: The HCN/CNH Isomerization Reaction Assisted by Water. - Silvia Díaz; Mateusz Z. Brela; Soledad Gutiérrez-Oliva; Alejandro Toro-Labbé; Artur Michalak (J. Comput. Chem., 2017)

The influence of the metal cations and microhydration on the reaction trajectory of the N3 [LEFT RIGHT ARROW] O2 thymine proton transfer: Quantum mechanical study. - Filip Sebesta; Mateusz Z. Brela; Silvia Díaz; Sebastian Miranda; Jane S. Murray; Soledad Gutiérrez-Oliva; Alejandro Toro-Labbé; Artur Michalak; Jaroslav V. Burda (J. Comput. Chem., 2017)

Diels-Alder reaction mechanisms of substituted chiral anthracene: A theoretical study based on the reaction force and reaction electronic flux. - Jennifer Paola Hernández Mancera; Francisco Núñez-Zarur; Soledad Gutiérrez-Oliva; Alejandro Toro-Labbé; Ricardo Vivas-Reyes (J. Comput. Chem., 2020)