Martin Head-Gordon

190PUBLICATIONS
296CO-AUTHORS
Catalysis and mechanisms of reactionsTheoretical quantum chemistryMetal cluster chemistryAtmospheric aerosolsBiomolecular modelling and design
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Publications (190)

|Sep 09, 2026
Molecular Approaches to the Mechanism of CO2 Reduction to Methanol by Cobalt Phthalocyanine.

|Sep 02, 2026
Using energy decomposition analysis from correlated wavefunction theory to characterize a range of hydrogen, halogen, and tetrel bonds: the relative importance of electrostatics, charge-transfer and polarization.

|Sep 01, 2026
Ionization-Driven Oxygen-Oxygen Bond Formation in Mixed CO2-H2O Clusters: The Role of Solvation and Cluster Composition.

|Aug 17, 2026
On the role of hydroxide ions as the mediators of cathodic Cu corrosion.

|Aug 13, 2026
Determining aerosol temperatures by oxygen K-edge X-ray thermometry.

|Aug 06, 2026
The rocky path of DFT into chemistry-Discussions at a symposium and reflections on a circular journey in honor of Axel Becke 1953-2025.

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Frequent Collaborators

27 joint publications

Diptarka Hait

22 joint publications

Teresa Head-Gordon

15 joint publications

Joonho Lee

12 joint publications

Matthias Loipersberger