Processus d'activation sélectif par transfert d'énergie uni-électronique ou radiatif | PASTEUR

• Article dans une revue

Molecular integral equations theory in the near critical region of CO2

Mohamed Houssein Mohamed, Luc Belloni, Daniel Borgis, Francesca Ingrosso, Antoine Carof

Environmental concerns are driving the search for greener yet efficient solvents. Supercritical CO2 (scCO2) is a promising candidate due to its non-toxicity and the potential for reusing CO2 emissions. It also offers a versatile range of properties that can be finely tuned by pressure adjustments.…

Journal of Molecular Liquids, 2025, 418, pp.126623. ⟨10.1016/j.molliq.2024.126623⟩. ⟨hal-04850087⟩

• Article dans une revue

Cognitive impairments after maximal repeated breath-holding in elite breath-hold divers

Jérémie Allinger, Patrice Gueit, Sylvane Faure, Guillaume Costalat, Frédéric Lemaitre

Background: Breath-hold (BH) training over several years may result in mild but persistent neurocognitive impairment. Paradoxically, the acute effects of repeated BH generating intermittent hypoxia on neurocognitive functions are still poorly understood. Therefore, we decided to examine the impact…

The Journal of Sports Medicine and Physical Fitness, 2024, ⟨10.23736/S0022-4707.24.16564-4⟩. ⟨hal-04822355⟩

• Article dans une revue

Unconventional structural evolution of an oxide surface in water unveiled by in situ sum-frequency spectroscopy

Xiaoqun Li, Flavio Brigiano, Simone Pezzotti, Xinyi Liu, Wanlin Chen, Huiling Chen, Ying Li, Hui Li, Xin Lin, Wenqi Zheng, Yuchong Wang, Yue Ron Shen, Marie-Pierre Gaigeot, Wei-Tao Liu

Nature Chemistry, 2024, ⟨10.1038/s41557-024-01658-y⟩. ⟨hal-04829586⟩

• Article dans une revue

A simplified method for theoretical sum frequency generation spectroscopy calculation and interpretation: The “pop model”

Wanlin Chen, Dorian Louaas, Flavio Siro Brigiano, Simone Pezzotti, Marie-Pierre Gaigeot

Existing methods to compute theoretical spectra are restricted to the use of time-correlation functions evaluated from accurate atomistic molecular dynamics simulations, often at the ab initio level. The molecular interpretation of the computed spectra requires additional steps to deconvolve the…

The Journal of Chemical Physics, 2024, 161 (14), ⟨10.1063/5.0231540⟩. ⟨hal-04829557⟩