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Castet, F., D’Avino, G., Muccioli, L., Cornil, J., Beljonne, D. (). Charge separation energetics at organic heterojunctions: On the role of structural and electrostatic disorder. In Physical Chemistry Chemical Physics (Vol. 16, Issue 38, p. 20279-20290). https://doi.org/10.1039/c4cp01872a THEO
Castet, F., Blanchard-Desce, M., Adamietz, F., Poronik, Y.M., Gryko, D.T., Rodriguez, V. (). Experimental and theoretical investigation of the first-order hyperpolarizability of octupolar merocyanine dyes. In Chemphyschem (Vol. 15, Issue 12, p. 2575-2581). https://doi.org/10.1002/cphc.201402083 THEO
Castet, F., Champagne, B., Pina, F., Rodriguez, V. (). A multistate pH-triggered nonlinear optical switch. In Chemphyschem (Vol. 15, Issue 11, p. 2221-2224). https://doi.org/10.1002/cphc.201402190 THEO
Al Mogren, M.M., Denis-Alpizar, O., Ben Abdallah, D., Stoecklin, T., Halvick, P., Senent, M.L., Hochlaf, M. (). On the use of explicitly correlated treatment methods for the generation of accurate polyatomic -He/H2 interaction potential energy surfaces: The case of C3-He complex and generalization. In Journal of Chemical Physics (Vol. 141, Issue 4, p. 044308). https://doi.org/10.1063/1.4890729 THEO
Alarcón, P., Bohn, B., Zetzsch, C., Rayez, M.T., Rayez, J.C. (). Reversible addition of the OH radical to p-cymene in the gas phase: Multiple adduct formation. Part 2. In Physical Chemistry Chemical Physics (Vol. 16, Issue 32, p. 17315-17326). https://doi.org/10.1039/c4cp02073a THEO
Rayez, M.T., Rayez, J.C., Kerdouci, J., Picquet-Varrault, B. (). Theoretical study of the gas-phase reactions of NO3radical with a series of trans -2-unsaturated aldehydes: From acrolein to trans-2-octenal. In Journal of Physical Chemistry A (Vol. 118, Issue 28, p. 5149-5155). https://doi.org/10.1021/jp503619d THEO
Pétuya, R., Larrégaray, P., Crespos, C., Busnengo, H.F., Martínez, A.E. (). Dynamics of H2 Eley-Rideal abstraction from W(110): Sensitivity to the representation of the molecule-surface potential. In Journal of Chemical Physics (Vol. 141, Issue 2, p. 024701). https://doi.org/10.1063/1.4885139 THEO