Theoretical studies on tautomerism of tetrazole derivatives by polarisable continuum method (PCM)

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

Vincenzo Barone, Maurizio Cossi · The Journal of Physical Chemistry A · 1998 · 10K citations

Natural Sciences, Chemistry, Physics +15

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Stanislav Miertuš, Eolo Scrocco, J. Tomasi · Chemical Physics · 1981 · 8.9K citations

Natural Sciences, Chemistry, Computational Chemistry +16

A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics

Éric Cancès, Benedetta Mennucci, J. Tomasi · The Journal of Chemical Physics · 1997 · 6.8K citations

Natural Sciences, Chemistry, Materials Science +17

Geometry optimization of molecular structures in solution by the polarizable continuum model

Vincenzo Barone, Maurizio Cossi, Jacopo Tomasi · Journal of Computational Chemistry · 1998 · 1.7K citations

Natural Sciences, Chemistry, Physics +16

Ab initio study of ionic solutions by a polarizable continuum dielectric model

Maurizio Cossi, Vincenzo Barone, Benedetta Mennucci et al. · Chemical Physics Letters · 1998 · 1.6K citations

Natural Sciences, Chemistry, Physics +16