Hydrogen molecule in the small dodecahedral cage of a clathrate hydrate: quantum five-dimensional calculations of the coupled translation− rotation eigenstates M Xu, YS Elmatad, F Sebastianelli, JW Moskowitz, Z Bačić
The Journal of Physical Chemistry B 110 (49), 24806-24811, 2006
94 2006 H2, HD, and D2 inside C60: Coupled translation-rotation eigenstates of the endohedral molecules from quantum five-dimensional calculations M Xu, F Sebastianelli, Z Bačić, R Lawler, NJ Turro
The Journal of chemical physics 129 (6), 2008
93 2008 Quantum dynamics of coupled translational and rotational motions of H2 inside C60 M Xu, F Sebastianelli, Z Bačić, R Lawler, NJ Turro
The Journal of chemical physics 128 (1), 2008
84 2008 Coupled translation-rotation eigenstates of H2 in C60 and C70 on the spectroscopically optimized interaction potential: Effects of cage anisotropy on the energy level structure … M Xu, F Sebastianelli, BR Gibbons, Z Bačić, R Lawler, NJ Turro
The Journal of chemical physics 130 (22), 2009
77 2009 Quantum dynamics of H2, D2, and HD in the small dodecahedral cage of clathrate hydrate: Evaluating H2-water nanocage interaction potentials by comparison of theory with … M Xu, F Sebastianelli, Z Bačić
The Journal of chemical physics 128 (24), 2008
73 2008 Ring-breaking electron attachment to uracil: Following bond dissociations via evolving resonances FA Gianturco, F Sebastianelli, RR Lucchese, I Baccarelli, N Sanna
The Journal of chemical physics 128 (17), 2008
65 2008 Quantum dynamics of small H2 and D2 clusters in the large cage of structure II clathrate hydrate: Energetics, occupancy, and vibrationally averaged cluster structures F Sebastianelli, M Xu, Z Bačić
The Journal of Chemical Physics 129 (24), 2008
61 2008 Hydrogen Molecules inside Fullerene C70 : Quantum Dynamics, Energetics, Maximum Occupancy, And Comparison with C60 F Sebastianelli, M Xu, Z Bacic, R Lawler, NJ Turro
Journal of the American Chemical Society 132 (28), 9826-9832, 2010
56 2010 Path Integral Molecular Dynamics Study of Small H2 Clusters in the Large Cage of Structure II Clathrate Hydrate: Temperature Dependence of Quantum Spatial … A Witt, F Sebastianelli, ME Tuckerman, Z Bacic
The Journal of Physical Chemistry C 114 (48), 20775-20782, 2010
55 2010 Hydrogen molecules in the small dodecahedral cage of a clathrate hydrate: quantum translation− rotation dynamics of the confined molecules F Sebastianelli, M Xu, YS Elmatad, JW Moskowitz, Z Bačić
The Journal of Physical Chemistry C 111 (6), 2497-2504, 2007
47 2007 Coupled Translation−Rotation Eigenstates of H2 , HD, and D2 in the Large Cage of Structure II Clathrate Hydrate: Comparison with the Small Cage and Rotational … M Xu, F Sebastianelli, Z Bacic
The Journal of Physical Chemistry A 113 (26), 7601-7609, 2009
46 2009 Application of genetic algorithm for the simultaneous identification of atmospheric pollution sources A Cantelli, F D'Orta, A Cattini, F Sebastianelli, L Cedola
Atmospheric Environment 115, 36-46, 2015
42 2015 Electron scattering cross sections from HCN over a broad energy range (0.1–10 000 eV): Influence of the permanent dipole moment on the scattering process AG Sanz, MC Fuss, F Blanco, F Sebastianelli, FA Gianturco, G García
The Journal of Chemical Physics 137 (12), 2012
39 2012 Microsolvation of Li+ in Small He Clusters. Li+ Hen Species from Classical and Quantum Calculations C Di Paola, F Sebastianelli, E Bodo, I Baccarelli, FA Gianturco, ...
Journal of Chemical Theory and Computation 1 (5), 1045-1054, 2005
39 2005 Hydrogen molecule in the small dodecahedral cage of a clathrate hydrate: quantum translation− rotation dynamics at higher excitation energies M Xu, F Sebastianelli, Z Bačić
The Journal of Physical Chemistry A 111 (49), 12763-12771, 2007
36 2007 Dissociative electron attachment to formamide: Direct and indirect pathways from resonant intermediates TPM Goumans, FA Gianturco, F Sebastianelli, I Baccarelli, JL Rivail
Journal of Chemical Theory and Computation 5 (1), 217-221, 2009
34 2009 One and Two Hydrogen Molecules in the Large Cage of the Structure II Clathrate Hydrate: Quantum Translation− Rotation Dynamics Close to the Cage Wall F Sebastianelli, M Xu, DK Kanan, Z Bačić
The Journal of Physical Chemistry A 111 (28), 6115-6121, 2007
33 2007 Rotational quenching in ionic systems at ultracold temperatures E Bodo, E Scifoni, F Sebastianelli, FA Gianturco, A Dalgarno
Physical review letters 89 (28), 283201, 2002
29 2002 Microsolvation of Li+ in bosonic helium clusters. I. Many-body effects on the structures of the small aggregates F Sebastianelli, E Bodo, I Baccarelli, C Di Paola, FA Gianturco, ...
Computational materials science 35 (3), 261-267, 2006
27 2006 Ab initio quantum dynamics with very weak van der Waals interactions: Structure and stability of small clustersE Bodo, F Sebastianelli, FA Gianturco, E Yurtsever, M Yurtsever
The Journal of chemical physics 120 (19), 9160-9166, 2004
26 2004