TOMASI, IACOPO Statistiche
TOMASI, IACOPO
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
A computational ab initio model for the evaluation of thermodynamic functions for solvent transfer processes
1990-01-01 R., Bonaccorsi; Floris, FRANCA MARIA; Tomasi, Iacopo
A new definition of cavities for the computation of solvation free energies by the Polarizable Continuum Model
1997-01-01 Barone, V; Cossi, M; Tomasi, Iacopo
A new formulation opf the PCM solvation method: PCM-QINT
1997-01-01 POMELLI S., C; Tomasi, Iacopo
A New Integral Equation Formalism for the Polarizable Continuum Model: Theoretical Background and Applications to Isotropic and Anisotropic Dielectrics,
1997-01-01 E., Cances; Mennucci, Benedetta; Tomasi, Iacopo
A polarizable continuum model for molecules at dffuse interfaces
2004-01-01 Frediani, L.; Cammi, R.; Corni, S.; Tomasi, Iacopo
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase
2007-01-01 Mennucci, Benedetta; Cappelli, Chiara; Cammi, R; Tomasi, Iacopo
A Second-Order, Quadratically Convergent Multiconfigurational Self-Consistent Field Polarizable Continuum Model for Equilibrium and Non-Equilibrium Solvation
2002-01-01 R., Cammi; Mennucci, Benedetta; K., Ruud; L., Frediani; K. V., Mikkelsen; Tomasi, Iacopo
A simple solvent model for electron transfer reactions.
1994-01-01 Cossi, M; Persico, Maurizio; Tomasi, Iacopo
A symmetry adapted tesselation of GEPOL surface: applications to molecular properties in solution
2001-01-01 Pomelli, CHRISTIAN SILVIO; Tomasi, Iacopo; Cammi, R.
A time-dependent Polarizable Continuum Model: theory and application
2005-01-01 M., Caricato; F., Ingrosso; Mennucci, Benedetta; Tomasi, Iacopo
Ab initi calculaton of 17O NMR chemical shft for water. The limit of PCM theory and the role of hydrogen-bond geometry and cooperativity
2004-01-01 Klein, R.; Mennucci, Benedetta; Tomasi, Iacopo
Ab initio effective pair potentials for simulations of the liquid state, based on the polarizable continuum model of the solvent
1992-01-01 Floris, FRANCA MARIA; Persico, Maurizio; Tani, Alessandro; Tomasi, Iacopo
Ab initio study of ionic solutions by a polarizable continuum dielectric model
1998-01-01 Cossi, M; Barone, V; Mennucci, Benedetta; Tomasi, Iacopo
Ab initio study of the electronic excited states in 4-(N,N-dimethylamino)benzonitrile with inclusion of solvent effects: the internal charge transfer process
2000-01-01 Mennucci, Benedetta; Toniolo, A.; Tomasi, Iacopo
Ab initio study of the SN@ reaction CH3Cl+CL- -> Cl- + CH3Cl in supercritical water with the PCM model
1997-01-01 POMELLI S., C; Tomasi, Iacopo
Alternative paths in the ring opening of oxadiaziridine: the diimide N-oxide versus the oxodiimide rearrangement.
1978-01-01 Cimiraglia, R; Persico, Maurizio; Tomasi, Iacopo
An ab initio study of the photodissociation of nitrosoalkanes and nitrosamines.
1985-01-01 Cimiraglia, R; Persico, Maurizio; Tomasi, Iacopo
An ab initio time dependent Hartree-Fock study of solvent effects on the polarizability and second hyperpolarizability of polyacetylene chains within the Polarizable Continuum model
1998-01-01 Champagne, B; Mennucci, Benedetta; Cossi, M; Cammi, R; Tomasi, Iacopo
An attempt to bridge the gap between computation and experiment for nonlinear optical properties: Macroscopic susceptibilities in solution
2000-01-01 Cammi, R.; Mennucci, Benedetta; Tomasi, Iacopo
An evaluation of solvent effects on isomerization mechanisms in diimide and methylenimine.
1984-01-01 Persico, Maurizio; Tomasi, Iacopo