Marie-Catherine Heitz

4PUBLICATIONS
4CO-AUTHORS
Radiation and matterAtomic and molecular physicsPhotochemistryCatalysis and mechanisms of reactions
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Publications (4)

|Mar 28, 2023
Dihydropyrene/Cyclophanediene Photoswitching Mechanism Revisited with Spin-Flip Time-Dependent Density Functional Theory: Nature of the Photoisomerization Funnel at Stake!

Elise Lognon, Rudraditya Sarkar, Marie-Catherine Heitz

|Dec 22, 2022
Absorption band structure of the photochromic dimethyldihydropyrene/metacyclophanediene couple. Insight from vibronic coupling theory.

Rudraditya Sarkar, Marie-Catherine Heitz, Martial Boggio-Pasqua

|Feb 05, 2020
Electronic Excited States and UV-Vis Absorption Spectra of the Dihydropyrene/Cyclophanediene Photochromic Couple: a Theoretical Investigation.

Rudraditya Sarkar, Marie-Catherine Heitz, Guy Royal

|Mar 20, 2019
RASPT2 study of the valence excited states of an iron-porphyrin-carbonyl model complex.

Nadia Ben Amor, Marie-Catherine Heitz

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Frequent Collaborators

3 joint publications

Rudraditya Sarkar

3 joint publications

Martial Boggio-Pasqua

1 joint publications

Nadia Ben Amor

1 joint publications

Guy Royal