Ariskina, K., Galliéro, G., Obliger, A. (). Free Volume Model for Transport in Flexible Kerogen of Source Rock's Organic Matter. In Journal of Physical Chemistry B (Vol. 126, Issue 38, p. 7409-7417). https://doi.org/10.1021/acs.jpcb.2c03970
THEO
Bonnet, L., Crespos, C., Monnerville, M. (). Chemical reaction thresholds according to classical-limit quantum dynamics. In Journal of Chemical Physics (Vol. 157, Issue 9, p. 094114). https://doi.org/10.1063/5.0101311
THEO
Leyssale, J.M., Couégnat, G., Jouannigot, S., Vignoles, G.L. (). Mechanisms of elastic softening in highly anisotropic carbons under in-plane compression/indentation. In Carbon (Vol. 197, p. 425-434). https://doi.org/10.1016/j.carbon.2022.06.063
THEO
Martin-Barrios, R., Hertl, N., Galparsoro, O., Kandratsenka, A., Wodtke, A.M., Larrégaray, P. (). H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction.. In Physical Chemistry Chemical Physics (Vol. 24, Issue 35, p. 20813-20819). https://doi.org/10.1039/d2cp01850k
THEO
Bonnin, I., Mereau, R., De Oliveira Vigier, K., Tassaing, T. (). Collision-Induced infrared absorption and Raman scattering of H2 in supercritical CO2. In Journal of Molecular Liquids (Vol. 360, p. 119455). https://doi.org/10.1016/j.molliq.2022.119455
THEO
Cabrera-González, L.D., Denis-Alpizar, O., Páez-Hernández, D., Stoecklin, T. (). Quantum study of the bending relaxation of H2O by collision with H. In Monthly Notices of the Royal Astronomical Society (Vol. 514, Issue 3, p. 4426-4432). https://doi.org/10.1093/mnras/stac1643
THEO
Siwaipram, S., Bopp, P.A., Ponchai, P., Soetens, J.C., Hasegawa, J.y., Schmid, R., Bureekaew, S. (). MD studies of methanol confined in the metal-organic framework MOF MIL-88B-Cl. In Journal of Molecular Liquids (Vol. 359, p. 119252). https://doi.org/10.1016/j.molliq.2022.119252
THEO
Leyssale, J.M., Galvez, M.E., Valdenaire, P.L., Pellenq, R., van Duin, A.C.T. (). Atomic-scale mechanism of carbon nucleation from a deep crustal fluid by replica exchange reactive molecular dynamics simulation. In Geochimica Et Cosmochimica Acta (Vol. 329, p. 106-118). https://doi.org/10.1016/j.gca.2022.04.024
THEO
Siragusa, F., Habets, T., Méreau, R., Evano, G., Grignard, B., Detrembleur, C. (). Catalyst-Free Approach for the Degradation of Bio- and CO2-Sourced Polycarbonates: A Step toward a Circular Plastic Economy. In ACS Sustainable Chemistry and Engineering (Vol. 10, Issue 27, p. 8863-8875). https://doi.org/10.1021/acssuschemeng.2c01891
