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 | 87 | 2006 |

, HD, and inside : 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), 064313, 2008 | 78 | 2008 |

Coupled translation-rotation eigenstates of in and on the spectroscopically optimized interaction potential: Effects of cage anisotropy on the energy level … M Xu, F Sebastianelli, BR Gibbons, Z Bačić, R Lawler, NJ Turro The Journal of chemical physics 130 (22), 224306, 2009 | 68 | 2009 |

Quantum dynamics of coupled translational and rotational motions of inside M Xu, F Sebastianelli, Z Bačić, R Lawler, NJ Turro The Journal of chemical physics 128 (1), 011101, 2008 | 68 | 2008 |

Quantum dynamics of , , and HD in the small dodecahedral cage of clathrate hydrate: Evaluating -water nanocage interaction potentials by comparison of … M Xu, F Sebastianelli, Z Bačić The Journal of chemical physics 128 (24), 244715, 2008 | 64 | 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), 05B603, 2008 | 64 | 2008 |

Hydrogen Molecules inside Fullerene C_{70}: Quantum Dynamics, Energetics, Maximum Occupancy, And Comparison with C_{60}F Sebastianelli, M Xu, Z Bacic, R Lawler, NJ Turro Journal of the American Chemical Society 132 (28), 9826-9832, 2010 | 53 | 2010 |

Quantum dynamics of small and 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), 244706, 2008 | 50 | 2008 |

Path Integral Molecular Dynamics Study of Small H_{2} 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 | 43 | 2010 |

Coupled Translation−Rotation Eigenstates of H_{2}, HD, and D_{2} 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 | 41 | 2009 |

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 | 41 | 2007 |

Microsolvation of Li^{+} in Small He Clusters. Li^{+}He_{n} Species from Classical and Quantum CalculationsC Di Paola, F Sebastianelli, E Bodo, I Baccarelli, FA Gianturco, ... Journal of Chemical Theory and Computation 1 (5), 1045-1054, 2005 | 34 | 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 | 33 | 2007 |

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 | 30 | 2007 |

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), 124103, 2012 | 29 | 2012 |

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 | 29 | 2009 |

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 | 28 | 2002 |

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 | 26 | 2015 |

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 | 24 | 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 | 24 | 2004 |