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The Journal of Physical Chemistry. A|January 20, 2006
Electronic structure and molecular properties of the heptacyanorhenate [Re(CN)7]3- and [Re(CN)7]4- complexesJorge David, Fernando Mendizábal, Ramiro Arratia-PérezJournal of Molecular Modeling|September 9, 2019
Further understanding of the Ru-centered [2+2] cycloreversion/cycloaddition involved into the interconversion of ruthenacyclobutane using the Grubbs catalysts from a reaction force analysisKatherine Paredes-Gil, Fernando Mendizábal, Pablo JaqueChempluschem|August 19, 2025
Unveiling SalL Chlorinase Reaction Mechanism and Selectivity through Quantum Mechanical/Molecular Mechanics and Activation-Strain ModelNéstor Gutiérrez-Sánchez, Fernando Mendizábal, Sebastián Miranda-RojasJournal of Chemical Information and Modeling|June 26, 2025
Insights into the Catalytic Mechanism and Selectivity of S-Adenosyl Methionine (SAM)-Dependent Fluorinase toward Carbon-Halogen Bond FormationNéstor Gutiérrez-Sánchez, Johannes Kästner, Fernando Mendizábal, et al.Physical Chemistry Chemical Physics : PCCP|November 1, 2013
Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111)S Miranda-Rojas, Alvaro Muñoz-Castro, Ramiro Arratia-Pérez, et al.Bioorganic & Medicinal Chemistry|March 14, 2007
Studies of inclusion complexes of natural and modified cyclodextrin with (+)catechin by NMR and molecular modelingCarolina Jullian, Sebastián Miranda, Gerald Zapata-Torres, et al.International Journal of Molecular Sciences|September 23, 2022
Unraveling the Role of the Tyrosine Tetrad from the Binding Site of the Epigenetic Writer MLL3 in the Catalytic Mechanism and Methylation MultiplicityKevin Blanco-Esperguez, Iñaki Tuñón, Johannes Kästner, et al.Biomolecules|August 6, 2021
Exploration of the Activation Mechanism of the Epigenetic Regulator MLL3: A QM/MM StudySebastián Miranda-Rojas, Kevin Blanco-Esperguez, Iñaki Tuñón, et al.The Journal of Physical Chemistry. A|April 8, 2011
A computationally efficient and reliable bond order measureRaúl Mera-Adasme, Fernando Mendizábal, Claudio Olea-Azar, et al.Inorganic Chemistry|May 2, 2012
Computational studies of the metal-binding site of the wild-type and the H46R mutant of the copper, zinc superoxide dismutaseRaúl Mera-Adasme, Fernando Mendizábal, Mauricio Gonzalez, et al.Pageof 2