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Evaluation of the dispersion contribution to the solvation energy. Computational model in the continuum approximation 1-gen-1989 Floris, FRANCA MARIA; Tomasi, Iacopo
A computational ab initio model for the evaluation of thermodynamic functions for solvent transfer processes 1-gen-1990 R., Bonaccorsi; Floris, FRANCA MARIA; Tomasi, Iacopo
Theoretical determination of the Gibbs energy of solution and transfer between immiscible solvents, with comments on the dynamics of phase transfer 1-gen-1990 R., Bonaccorsi; Floris, FRANCA MARIA; P., Palla; Tomasi, Iacopo
Dispersion and repulsion contributions to the solvation energy: refinements to a simple computational model in the continuum approximation 1-gen-1991 Floris, FRANCA MARIA; J., Tomasi; J. L., PASCUAL AHUIR
Ab initio effective pair potentials for simulations of the liquid state, based on the polarizable continuum model of the solvent 1-gen-1992 Floris, FRANCA MARIA; Persico, Maurizio; Tani, Alessandro; Tomasi, Iacopo
ABINITIO EFFECTIVE PAIR POTENTIALS FOR SIMULATIONS OF THE LIQUID-STATE, BASED ON THE POLARIZABLE CONTINUUM MODEL OF THE SOLVENT 1-gen-1992 Floris, FRANCA MARIA; Persico, Maurizio; Tani, Alessandro; Tomasi, J.
Evaluation of dispersion-repulsion contributions to the solvation energy. Calibration of the uniform approximation with the aiad of RISM calculations 1-gen-1993 Floris, FRANCA MARIA; Tani, Alessandro; Tomasi, Iacopo
Hydration shell structure of the calcium ion from simulations with ab initio effective pair potentials. 1-gen-1994 Floris, FRANCA MARIA; Persico, Maurizio; Tani, Alessandro; Tomasi, Iacopo
FREE-ENERGIES AND STRUCTURES OF HYDRATED CATIONS, BASED ON EFFECTIVE PAIR POTENTIALS 1-gen-1995 Floris, FRANCA MARIA; Persico, Maurizio; Tani, Alessandro; Tomasi, Iacopo
Free energy and entropy for inserting cavities in water: Comparison of Monte Carlo simulation and scaled particle theory results 1-gen-1997 Floris, FRANCA MARIA; Selmi, M; Tani, Alessandro; Tomasi, Iacopo
A MCSCF study of the SN2 Menshutkin reaction in Aqueous Solution within the Polarizable Continuum Model 1-gen-1998 Amovilli, C.; Mennucci, Benedetta; Floris, F. M.
Degenerate lithium-hydrogen exchange reactions: an alternative mechanism for metalation of CH4 in gas phase and in THF solution 1-gen-1998 Coitino, E. L.; Tomasi, Iacopo; Floris, FRANCA MARIA; Ciuffarin, E.
MCSCF study of the S(N)2 Menshutkin reaction in aqueous solution within the polarizable continuum model 1-gen-1998 Amovilli, Claudio; Mennucci, Benedetta; Floris, FRANCA MARIA
Theoretical Modeling of the Symmetric (C2v) Electrophilic Attachment of Chlorine to Ethylene in Aqueous Solution 1-gen-1999 Amovilli, Claudio; Floris, FRANCA MARIA; Mennucci, Benedetta
Interaction potentials for small molecules 1-gen-1999 Floris, FRANCA MARIA; Tani, Alessandro
MCSCF Study of Chemical Reactions in Solution within the Polarizable Continuum Model and VB Analysis of the Reaction Mechanism 1-gen-2000 Amovilli, Claudio; Floris, FRANCA MARIA; Mennucci, Benedetta
A study of aqueous solutions of lanthanide ions by molecular dynamics simulation with ab initio effective pair potentials 1-gen-2001 Floris, F. M.; Tani, Alessandro
A study of aqueous solutions of lanthanide ions by molecular dynamics simulation with effective pair potentials 1-gen-2001 Floris, FRANCA MARIA; Tani, Alessandro
Theoretical study of the proton transfer between water and [FeH(C0)4]- in aqueous solution and relevance to the water gas shift reaction catalyzed by iron penta-carbonyl in the condensed phase 1-gen-2001 Amovilli, Claudio; Floris, FRANCA MARIA; M., Sola; Tomasi, Iacopo
Preferential solvation of Ca(2+) in aqueous solutions containing ammonia: A Molecular dynamics study 1-gen-2002 Floris, FRANCA MARIA; Martinez, J. M.; Tomasi, Iacopo
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