Didier Bégué

24PUBLICATIONS
35CO-AUTHORS
Organic semiconductorsMolecular imaging (incl. electron microscopy and neutron diffraction)Free radical chemistryMolecular and organic electronicsTheoretical quantum chemistry
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Publications (24)

|Aug 20, 2026
Zn2+-induced electronic polarization and local reactivity in melanin-like dopamine oligomers: a DFT study.

|Nov 17, 2025
Mechanistic Insights into NO Releasing by Functionalized Carbon Quantum Dots: A DFT Study.

Henrique Rodrigues Souza-Silva, Orisson Ponce Gomes, João Pedro Dionizio

|Aug 15, 2025
Sydnone Photochemistry: Formation of Nitrenes.

Didier Bégué, Maryam Miri, Avat Arman Taherpour

|Aug 04, 2025
Melanin-Based Compounds as Low-Cost Sensors for Nitroaromatics: Theoretical Insights on Molecular Interactions and Optoelectronic Responses.

João P Cachaneski-Lopes, Felipe Hawthorne, Cristiano F Woellner

|Nov 07, 2023
Haddon's POAV2 vs POAV theory for non-planar molecules.

J Sabalot-Cuzzubbo, N Cresson, G Salvato Vallverdu

|Oct 24, 2023
CHNO - Formylnitrene, Cyanic, Isocyanic, Fulminic, and Isofulminic Acids and their Interrelationships at DFT and CASPT2 Levels of Theory.

Didier Bégué, William Lafargue-Dit-Hauret, Alain Dargelos

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Frequent Collaborators

14 joint publications

Curt Wentrup

5 joint publications

Hugo Santos-Silva

3 joint publications

Germain Salvato Vallverdu

3 joint publications

Augusto Batagin-Neto