Rocío Durán

10PUBLICATIONS
17CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Free radical chemistrySupramolecular chemistryNonlinear optics and spectroscopyStatistical mechanics in chemistry
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Publications (10)

|Sep 26, 2026
Multiscale Modeling of Icilin and Calcium Binding to Human TRPM8 Ion Channel: Insights From MD, MMPBSA, and QM/MM Analyses.

|May 01, 2026
Secondary organic aerosol formation from linalool-derived Criegee intermediates: mechanistic insights into Criegee-carbonyl cycloadditions and atmospheric implications.

|Jan 07, 2026
Dependence of the Electrochemical Behavior of Redox-Functionalized Calix[4]arene Monolayers on Intermolecular Interactions in a Structurally Controlled Interfacial Architecture.

Camila F Olguín, Carolina P Candia, Rocío Durán

|Oct 23, 2025
Unraveling Lewis base substitution in ansa-type frustrated Lewis pairs: how N → P replacement redefines adduct stability and H2 activation.

César Barrales-Martínez, Javier Rosales-Rojas, Julio Caballero

|Apr 29, 2025
The connection between hydride affinity and local electrophilicity: a key factor in designing frustrated Lewis pairs for reversible H2 activation.

César Barrales-Martínez, Rocío Durán, Julio Caballero

|Jan 20, 2025
Computational Study of the 1,3-Dipolar Cycloaddition between Criegee Intermediates and Linalool: Atmospheric Implications.

Rocío Durán, César Barrales-Martínez, Jocelyn Solorza

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Frequent Collaborators

8 joint publications

César Barrales-Martínez

3 joint publications

Julio Caballero

2 joint publications

Pablo Jaque

2 joint publications

Jans Alzate-Morales