Pablo Jaque

18PUBLICATIONS
29CO-AUTHORS
Theoretical quantum chemistryReaction kinetics and dynamicsOrganic chemical synthesisStatistical mechanics in chemistryAtomic and molecular physics
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Publications (18)

|Jun 08, 2026
Density Functional Theory Study on the Isomerism in Porphyrins: Structural, Tautomerism and Atropisomerism.

|May 18, 2026
Unifying path-dependent and thermodynamic descriptors of asynchronicity in double proton transfer reactions.

|Sep 17, 2025
Unveiling the Mechanism and Origins of Selectivity in Phosphine-Catalyzed Higher-Order Cycloadditions of Allenes with Tropone.

Sebastián Gallardo-Fuentes, Andrés F Flor-López, Pablo Jaque

|Aug 22, 2025
A statistical theory of reactivity based on molecular orbitals participation and its application to organic reactions.

Javier Oller, Paul Geerlings, Frank De Proft

|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

|Dec 11, 2024
Identifying reactive normal modes and their effect on regioselectivity in Myers-Saito and Schmittel cyclization of enyne-allenes: a combined perspective between the reaction force constant and statistical tools.

Andrés F Flor-López, Ricardo A Matute, Pablo Jaque

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Frequent Collaborators

3 joint publications

Diana Yepes

3 joint publications

Israel Fernández

3 joint publications

César Barrales-Martínez

2 joint publications

Javier Oller