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Galparsoro, O., Martin-Barrios, R., Ibañez-Almaguer, P.E., Márquez-Mijares, M., Cremé, J.D., Silva-Solis, Y., Rubayo-Soneira, J., Crespos, C., Larregaray, P. (). Isotope effects in Eley-Rideal abstraction of hydrogen from tungsten surfaces: the role of dissipation. In Physical Chemistry Chemical Physics. https://doi.org/10.1039/d4cp04063e THEO
Viaud, L.T., Ibarguen Becerra, C., Crespos, C., Bonnet, L., Larregaray, P. (). Improved Theoretical Description of the H2 Chemisorption Dynamics on the W(100) Surface. In Journal of Physical Chemistry C (Vol. 128, Issue 41, p. 17410-17417). https://doi.org/10.1021/acs.jpcc.4c04679 THEO
Ariskina, K., Galliéro, G., Obliger, A. (). Confined fluid dynamics in a viscoelastic, amorphous, and microporous medium: Study of a kerogen by molecular simulations and the generalized Langevin equation. In Journal of Chemical Physics (Vol. 161, Issue 12, p. 124901). https://doi.org/10.1063/5.0225299 THEO
Bonnet, L. (). Semiclassical initial value representation of light-induced vibrational transitions: Comparative study of two propagation schemes. In Chemical Physics Letters (Vol. 851, p. 141459). https://doi.org/10.1016/j.cplett.2024.141459 THEO
Deveaux, N., Ramos, T.N., Beaujean, P., Castet, F., Champagne, B. (). Quantum Chemical Study of a Dihydroazulene-Spiropyran Multi-State Multi-Functional Molecular Switch. In ChemPhotoChem (Vol. 8, Issue 9, p. e202400063). https://doi.org/10.1002/cptc.202400063 THEO
Polewczyk, F., Lafourcade, P., Pineau, N., Denoual, C., Vignoles, G.L., Leyssale, J.M. (). A molecular dynamics investigation of laminar pyrocarbons elasticity up to high-temperatures. In Carbon Trends (Vol. 16, p. 100376). https://doi.org/10.1016/j.cartre.2024.100376 THEO