Martín Calvelo

11PUBLICATIONS
27CO-AUTHORS
Statistical mechanics in chemistryOrganometallic chemistryPolymerisation mechanismsTheory and design of materialsFunctional materials
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Publications (11)

|May 27, 2026
Efficient QM/MM Modeling of Enzymatic Reactions Combining PathCV with OPES.

|May 07, 2026
Enantioselective Iridium-Catalyzed Intramolecular Hydroarylation of (Hetero)Arene-Tethered Prochiral Diketones.

|Aug 14, 2024
Exo-chirality of the α-helix.

Jose M Martínez-Parra, Rebeca Gómez-Ojea, Geert A Daudey

|Jun 05, 2024
Skeletal and Mechanistic Diversity in Ir-Catalyzed Cycloisomerizations of Allene-Tethered Pyrroles and Indoles.

Andrés Arribas, Martín Calvelo, Alejandro Rey

|Mar 25, 2022
Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A Critical Comparison.

Daniel Conde, Pablo F Garrido, Martín Calvelo

|Jun 17, 2021
Highly Enantioselective Iridium(I)-Catalyzed Hydrocarbonation of Alkenes: A Versatile Approach to Heterocyclic Systems Bearing Quaternary Stereocenters.

Andrés Arribas, Martín Calvelo, David F Fernández

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Frequent Collaborators

4 joint publications

Rebeca García-Fandiño

4 joint publications

Fernando López

4 joint publications

José L Mascareñas

3 joint publications

Andrés Arribas