The Conformational Dynamics of the Ligands Determines the Electronic Circular Dichroism of the Chiral Au38(SC2H4Ph)24 Cluster von Monti, M., Brancolini, G., Coccia, E., Toffoli, D., Fortunelli, A., Corni, S., Aschi, M., Stener, M.

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Photoelectron angular distribution studies for two spin–orbit-split components of Xe 3d subshell: a critical comparison between theory and experiment von Minemoto, S, Teramoto, T, Majima, T, Mizuno, T, Mun, J H, Park, S H, Kwon, S, Yagishita, A, Toffoli, D

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Time-Resolved Excited-State Analysis of Molecular Electron Dynamics by TDDFT and Bethe-Salpeter Equation Formalisms von Illobre, P. Grobas, Marsili, M., Corni, S., Stener, M., Toffoli, D., Coccia, E.

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The Conformational Dynamics of the Ligands Determines the Electronic Circular Dichroism of the Chiral Au 38 (SC 2 H 4 Ph) 24 Cluster von Monti, M, Brancolini, G, Coccia, E, Toffoli, D, Fortunelli, A, Corni, S, Aschi, M, Stener, M

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Revealing the electronic properties of the B-B bond: the bis-catecholato diboron molecule von Toffoli, D, Grazioli, C, Monti, M, Stener, M, Totani, R, Richter, R, Schio, L, Fronzoni, G, Cossaro, A

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Automatic generation of potential energy and property surfaces of polyatomic molecules in normal coordinates von Toffoli, D, Kongsted, J, Christiansen, O

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S 2p and P 2p Core Level Spectroscopy of PPT Ambipolar Material and Its Building Block Moieties von Bernes, E, Fronzoni, G, Stener, M, Guarnaccio, A, Zhang, T, Grazioli, C, Johansson, F. O. L, Coreno, M, de Simone, M, Puglia, C, Toffoli, D

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S2p core level spectroscopy of short chain oligothiophenes von Baseggio, O., Toffoli, D., Stener, M., Fronzoni, G., de Simone, M., Grazioli, C., Coreno, M., Guarnaccio, A., Santagata, A., D’Auria, M.

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Electronic Structure Characterization of a Thiophene Benzo-Annulated Series of Common Building Blocks for Donor and Acceptor Compounds Studied by Gas Phase Photoelectron and Photoa... von Toffoli, D, Guarnaccio, A, Grazioli, C, Zhang, T, Johansson, F, de Simone, M, Coreno, M, Santagata, A, D’Auria, M, Puglia, C, Bernes, E, Stener, M, Fronzoni, G

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Convergence of the multicenter B-spline DFT approach for the continuum von Toffoli, D, Stener, M, Fronzoni, G, Decleva, P

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Towards understanding the electronic structure and ion fragmentation patterns of indole and related compounds von Sa'adeh, H, Plekan, O, Ponzi, A, Toffoli, D, Bolognesi, P, Chiarinelli, J, Castrovilli, M C, Vozzi, C, Faccialà, D, Devetta, M, Ciavardini, A, Avaldi, L, Coreno, M, Callegari, C, Richter, R, Prince, K C

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Photoelectron angular distributions beyond the dipole approximation: a computational study on the N 2 molecule von Toffoli, D, Decleva, P

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Photoelectron angular distributions beyond the dipole approximation: a computational study on the N2 molecule von Toffoli, D, Decleva, P

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Time dependent density functional study of the photoionization dynamics of SF6 von Stener, M, Toffoli, D, Fronzoni, G, Decleva, P

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Determination of damage caused by different populations of Diloboderus abderus (Coleoptera: Scarabaeidae) larvae on wheat von Valle, Eleodoro E. Del, Mayer, Gabriel F., Mazuquín, Gabriel A., Nari, Pablo, Toffoli, Guillermo D., Imvinkelried, Horacio O.

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Density functional theory for the photoionization dynamics of uracil von Toffoli, D., Decleva, P., Gianturco, F. A., Lucchese, R. R.

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Photoionization cross section and angular distribution calculations of carbon tetrafluoride von Toffoli, D, Stener, M, Fronzoni, G, Decleva, P

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The valence electronic structure and conformational flexibility of epichlorohydrin von STRANGES, S, ALAGIA, M, ZEMA, N, CONTINI, G, KEHEYAN, Y, DECLEVA, P, STENER, M, FRONZONI, G, TOFFOLI, D, SPERANZA, M, CATONE, D, TURCHINI, S, PROSPERI, T

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Time dependent density functional photoionization of CH4, NH3, H2O and HF von Stener, M., Fronzoni, G., Toffoli, D., Decleva, P.

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Time dependent density functional investigation of the near-edge absorption spectra of V2O5 von DE FRANCESCO, R, STENER, M, CAUSA, M, TOFFOLI, D, FRONZONI, G

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