Mårten S G Ahlquist

29PUBLICATIONS
53CO-AUTHORS
Statistical mechanics in chemistryCatalysis and mechanisms of reactionsElectrochemical energy storage and conversionChemical and thermal processes in energy and combustionOrganometallic chemistry
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Publications (29)

|Jul 04, 2026
From SMILES Codes for Reactants and Products to Transition States With VeloxChem.

|Jun 25, 2026
Alkali Cations Promote CO2 Electroreduction on Cu(100) Surfaces under Acidic Conditions by Suppressing Surface Hydrogen Passivation: A Multiscale Modeling Perspective.

|May 18, 2026
Inversed Cation Size Effects on Methanol Formations From CO2 Electroreduction by Immobilized Cobalt Phthalocyanine.

|Nov 22, 2025
Support-Induced Interfacial Effects Steer Methanol Selectivity in CO2 Electroreduction by Immobilized Cobalt Phthalocyanine.

Ke Ye, Min Hu, Guozhen Zhang

|Nov 14, 2025
Metal-hydroxyls mediate intramolecular proton transfer in heterogeneous O-O bond formation.

Hao Yang, Fusheng Li, Shaoqi Zhan

|Aug 04, 2025
VeloxChem Quantum-Classical Interoperability for Modeling of Complex Molecular Systems.

Juan Angel de Gracia Triviño, Iulia Emilia Brumboiu, David Carrasco-Busturia

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Frequent Collaborators

5 joint publications

Licheng Sun

3 joint publications

Guozhen Zhang

3 joint publications

Hao Su

3 joint publications

Linqin Wang