Ahmet Altun

17PUBLICATIONS
28CO-AUTHORS
Metal organic frameworksComputational chemistryCheminformatics and quantitative structure-activity relationshipsRadiation and matterOrganometallic chemistry
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Publications (17)

|Jun 16, 2026
Fluorination switches CO-arene binding to a π-hole regime, enabling nonclassical carbonyl behaviour.

|Aug 28, 2025
LEDAW: An Integrated Software Suite with GUI for Automating Local Energy Decomposition Analysis of Molecular Interactions.

Ahmet Altun, Frank Neese, Giovanni Bistoni

|Dec 03, 2024
A Generally Applicable Method for Disentangling the Effect of Individual Noncovalent Interactions on the Binding Energy.

Ahmet Altun, Isaac F Leach, Frank Neese

|Nov 12, 2024
Rationalizing polymorphism with local correlation-based methods: a case study of pnictogen molecular crystals.

Ahmet Altun, Eduardo Schiavo, Michael Mehring

|Apr 25, 2024
Nitrate reduction enables safer aryldiazonium chemistry.

Javier Mateos, Tim Schulte, Deepak Behera

|Apr 11, 2024
Local Energy Decomposition Analysis of London Dispersion Effects: From Simple Model Dimers to Complex Biomolecular Assemblies.

Giovanni Bistoni, Ahmet Altun, Zikuan Wang

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Frequent Collaborators

16 joint publications

Giovanni Bistoni

14 joint publications

Frank Neese

1 joint publications

Matthias Tamm

1 joint publications

Miquel Garcia-Ratés