Publications scientifiques

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Titre de la publication Année Groupe de recherche
Leyssale, J.M., Piazza, F., Puech, P. (). Atomistic simulation of the bending stiffness of sp2 and sp3 hybridized carbon sheets. In Journal of Applied Physics (Vol. 140, Issue 2, p. 024302). https://doi.org/10.1063/5.0333587 THEO
Obliger, A. (). The biexponential road to Fickian yet non-Gaussian diffusion in kerogen’s microporosity. In Journal of Chemical Physics (Vol. 164, Issue 16, p. 164903). https://doi.org/10.1063/5.0329523 THEO
Stoecklin, T., Kłos, J., Chałasiński, G. (). Correction to “Theoretical Estimation of the Radiative Association Rate between Mg+ and HCN(X1Σ+)”. In Journal of Physical Chemistry A (Vol. 130, Issue 16, p. 3261). https://doi.org/10.1021/acs.jpca.6c01771 THEO
Cucuiet, T.A., Merritt, I.C.D., Pozzo, J.L., Castet, F., Bassani, D.M. (). Mechanistic insights into the thermal ground-state recovery of salicylidene aniline photoswitches. In Dyes and Pigments (Vol. 247, p. 113472). https://doi.org/10.1016/j.dyepig.2025.113472 THEO
Owona, J., Goto, S.J., Truflandier, L., Tonnelé, C., Castet, F. (). Pressure- and aggregation-induced modulation of linear and nonlinear optical properties in a push–pull chromophore: insights from computational modelling. In Physical Chemistry Chemical Physics (Vol. 28, Issue 10, p. 6636-6648). https://doi.org/10.1039/d5cp04030b THEO
Hugget, M., Dellai, A., Aurel, P., Maraldi, M.G., de Wergifosse, M., Castet, F. (). Simplified Time-Dependent DFT for all-Atom Simulations of Second Harmonic Generation Responses: A Case Study on Photoswitchable Azobenzene Monolayers. In Journal of Computational Chemistry (Vol. 47, Issue 6, p. e70336). https://doi.org/10.1002/jcc.70336 THEO