jct-nordidf2024 : Journées de chimie théorique du pôle Nord/IdF de ThéMoSiA 2024
21-22 May 2024 Paris (France)
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Tue. 21
Wed. 22
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Wednesday, May 22, 2024
09:00
10:00
11:00
12:00
›9:00 (45min)
Quantum chemistry challenges the continuum: photoionisation and high harmonic generation for atoms and molecules
Eleonora Luppi
9:00 - 9:45 (45min)
Quantum chemistry challenges the continuum: photoionisation and high harmonic generation for atoms and molecules
Eleonora Luppi
›9:45 (20min)
Molecular Modeling of NOX5 protein: Impact of the Initial Structure and Membrane composition
Baptiste Etcheverry
9:45 - 10:05 (20min)
Molecular Modeling of NOX5 protein: Impact of the Initial Structure and Membrane composition
Baptiste Etcheverry
›10:05 (20min)
Non-Adiabatic Dynamics exploration on microhydrated DNA probe
Elise Lognon
10:05 - 10:25 (20min)
Non-Adiabatic Dynamics exploration on microhydrated DNA probe
Elise Lognon
›10:25 (35min)
Coffee break
› Cave Esclangon
10:25 - 11:00 (35min)
Coffee break
Cave Esclangon
›11:20 (20min)
Rationalizing the Delivery of a Photodynamic Therapy Drug to the Cell Membrane via β-Cyclodextrin Units
Basak Koca-Findik
11:20 - 11:40 (20min)
Rationalizing the Delivery of a Photodynamic Therapy Drug to the Cell Membrane via β-Cyclodextrin Units
Basak Koca-Findik
›11:40 (20min)
What did we learn by simulating the reactivity of acetylcholinesterase? and how?
Etienne Derat
11:40 - 12:00 (20min)
What did we learn by simulating the reactivity of acetylcholinesterase? and how?
Etienne Derat
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