Free energy and entropy for inserting cavities in water: comparison of Monte Carlo simulation and scaled particle theory results FM Floris, M Selmi, A Tani, J Tomasi The Journal of chemical physics 107 (16), 6353-6365, 1997 | 130 | 1997 |

A study of aqueous solutions of lanthanide ions by molecular dynamics simulation with *ab initio* effective pair potentialsFM Floris, A Tani The Journal of Chemical Physics 115 (10), 4750-4765, 2001 | 99 | 2001 |

Structure of a dilute aqueous solution of argon. A Monte Carlo simulation G Alagona, A Tani The Journal of Chemical Physics 72 (1), 580-588, 1980 | 97 | 1980 |

Ab initio effective pair potentials for simulations of the liquid state, based on the polarizable continuum model of the solvent F Floris, M Persico, A Tani, J Tomasi Chemical physics letters 199 (6), 518-524, 1992 | 93 | 1992 |

Computer simulation of solid and liquid benzene with an atomistic interaction potential derived from ab initio calculations I Cacelli, G Cinacchi, G Prampolini, A Tani Journal of the American Chemical Society 126 (43), 14278-14286, 2004 | 82 | 2004 |

Hydration shell structure of the calcium ion from simulations with ab initio effective pair potentials FM Floris, M Persico, A Tani, J Tomasi Chemical physics letters 227 (1-2), 126-132, 1994 | 78 | 1994 |

Free energies and structures of hydrated cations, based on effective pair potentials F Floris, M Persico, A Tani, J Tomasi Chemical physics 195 (1-3), 207-220, 1995 | 77 | 1995 |

Application of perturbation theory to the calculation of the dielectric constant of a dipolar hard sphere fluid A Tani, D Henderson, JA Barker, CE Hecht Molecular Physics 48 (4), 863-869, 1983 | 74 | 1983 |

Diffusion effects of hydrogen bond fluctuations. I. The long time regime of the translational and rotational diffusion of water D Bertolini, M Cassettari, M Ferrario, P Grigolini, G Salvetti, A Tani The Journal of chemical physics 91 (2), 1179-1190, 1989 | 70 | 1989 |

Atomistic molecular dynamics simulation of hexakis (pentyloxy) triphenylene: Structure and translational dynamics of its columnar state G Cinacchi, R Colle, A Tani The Journal of Physical Chemistry B 108 (23), 7969-7977, 2004 | 69 | 2004 |

A cluster theory for electrolytes A Tani, D Henderson The Journal of chemical physics 79 (5), 2390-2394, 1983 | 65 | 1983 |

Liquid crystal properties of the n-alkyl-cyanobiphenyl series from atomistic simulations with ab initio derived force fields I Cacelli, L De Gaetani, G Prampolini, A Tani The Journal of Physical Chemistry B 111 (9), 2130-2137, 2007 | 64 | 2007 |

Atomistic simulation of a nematogen using a force field derived from quantum chemical calculations I Cacelli, G Prampolini, A Tani The Journal of Physical Chemistry B 109 (8), 3531-3538, 2005 | 58 | 2005 |

Generalized hydrodynamics and the acoustic modes of water: Theory and simulation results D Bertolini, A Tani Physical Review E 51 (2), 1091, 1995 | 54 | 1995 |

Stress tensor and viscosity of water: molecular dynamics and generalized hydrodynamics results D Bertolini, A Tani Physical Review E 52 (2), 1699, 1995 | 51 | 1995 |

Equation of state of ionic fluids D Henderson, L Blum, A Tani | 50 | 1986 |

The frequency and wavelength dependent dielectric permittivity of water D Bertolini, A Tani Molecular Physics 75 (5), 1065-1088, 1992 | 49 | 1992 |

Thermal conductivity of water: Molecular dynamics and generalized hydrodynamics results D Bertolini, A Tani Physical review E 56 (4), 4135, 1997 | 44 | 1997 |

Evaluation of dispersion—repulsion contributions to the solvation energy. Calibration of the uniform approximation with the aid of RISM calculations FM Floris, A Tani, J Tomasi Chemical physics 169 (1), 11-20, 1993 | 41 | 1993 |

A molecular dynamics study of the TIP4P model of water M Ferrario, A Tani Chemical physics letters 121 (3), 182-186, 1985 | 41 | 1985 |