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Titre de la publication Année Groupe de recherche
García-Vázquez, R.M., Cabrera-González, L.D., Denis-Alpizar, O., Stoecklin, T. (). A Rigid Bender Study of the Bending Relaxation of H2O and D2O by Collisions with Ar. In Chemphyschem (Vol. 25, Issue 10, p. e202300752). https://doi.org/10.1002/cphc.202300752 THEO
Polewczyk, F., Leyssale, J.M., Aurel, P., Pineau, N., Denoual, C., Vignoles, G.L., Lafourcade, P. (). Elasticity of dense anisotropic carbons: A machine learning model of the structure–property relationship informed by large scale molecular dynamics data. In Acta Materialia (Vol. 270, p. 119851). https://doi.org/10.1016/j.actamat.2024.119851 THEO
Preethalayam, P., Roldao, J.C., Castet, F., Casanova, D., Radenković, S., Ottosson, H. (). 3,4-Dimethylenecyclobutene: A Building Block for Design of Macrocycles with Excited State Aromatic Low-Lying High-Spin States. In Chemistry A European Journal (Vol. 30, Issue 27, p. e202303549). https://doi.org/10.1002/chem.202303549 THEO
Bonnin, I., Méreau, R., Tassaing, T., De Oliveira Vigier, K. (). Selective One-Pot Synthesis of Sorbitans (1,4-Sorbitan and 3,6-Sorbitan) from Glucose via Catalytic Hydrogenation and CO2-Mediated Dehydration. In ACS Sustainable Chemistry and Engineering (Vol. 12, Issue 19, p. 7276-7288). https://doi.org/10.1021/acssuschemeng.3c08156 THEO
Kaka, K.S., Castet, F., Champagne, B. (). On the third-order nonlinear optical responses of cis and trans stilbenes - a quantum chemistry investigation. In Physical Chemistry Chemical Physics (Vol. 26, Issue 20, p. 14808-14824). https://doi.org/10.1039/d4cp00522h THEO
Denis-Alpizar, O., Zanchet, A., Stoecklin, T. (). Quantum study of the rovibrational relaxation of HF by collision with 4He on a new potential energy surface. In Physical Chemistry Chemical Physics (Vol. 26, Issue 17, p. 13432-13440). https://doi.org/10.1039/d3cp05606f THEO
Jelínková, V., Dellai, A., Vachtlová, M., Fecková, M., Podlesný, J., Klikar, M., Castet, F., Růžička, A., Pařík, P., Pytela, O., Bureš, F. (). Molecular azo–imidazole photoswitches: Property tuning by substitution. In Journal of Photochemistry and Photobiology A Chemistry (Vol. 449, p. 115390). https://doi.org/10.1016/j.jphotochem.2023.115390 THEO