Frédéric Castet

37PUBLICATIONS
71CO-AUTHORS
Radiation and matterOrganometallic chemistryMolecular imaging (incl. electron microscopy and neutron diffraction)Optical properties of materialsStructure and dynamics of materials
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Publications (37)

|Sep 17, 2026
Second Harmonic Generation of Spiropyran-Merocyanine Photoswitches: Insights From Hyper-Rayleigh Scattering and All-Atom Dynamic Structure Quantum Mechanical Calculations.

|Sep 03, 2026
From p-Type to n-Type: Chlorination-Induced Electronic and Structural Modulation of Axially Substituted Siloxane Silicon Phthalocyanines.

|Jul 13, 2026
Beyond Wigner sampling: Effect of initial conditions and substitution on simulated ESIPT in salicylidene aniline.

|Feb 25, 2026
Pressure- and aggregation-induced modulation of linear and nonlinear optical properties in a push-pull chromophore: insights from computational modelling.

Josianne Owona, Selom J Goto, Lionel Truflandier

|Feb 22, 2026
Simplified Time-Dependent DFT for all-Atom Simulations of Second Harmonic Generation Responses: A Case Study on Photoswitchable Azobenzene Monolayers.

Matt Hugget, Angela Dellai, Philippe Aurel

|Sep 03, 2025
A Hybrid Scheme for Calculating Correlated and Frequency-Dependent First and Second Hyperpolarizabilities of Molecules in Solution: A Case Study on Para-Disubstituted Benzene Derivatives.

Komlanvi Sèvi Kaka, Benoît Champagne, Frédéric Castet

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Frequent Collaborators

14 joint publications

Benoît Champagne

9 joint publications

Claire Tonnelé

6 joint publications

Vincent Rodriguez

6 joint publications

Luca Muccioli