Rosanna Bonaccorsi

Molecular SCF Calculations for the Ground State of Some Three-Membered Ring Molecules: (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, and N2CH2

Rosanna Bonaccorsi, Eolo Scrocco, Jacopo Tomasi · The Journal of Chemical Physics · 1970 · 394 citations

Natural Sciences, Chemistry, Physics +17

Electrostatic interaction of a solute with a continuum. Improved description of the cavity and of the surface cavity bound charge distribution.

Juan-Luis Pascual-Ahuir, Estanislao Silla, J. Tomasi et al. · Journal of Computational Chemistry · 1987 · 356 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Conformational energy of glycine in aqueous solutions and relative stability of the zwitterionic and neutral forms. An ab initio study

Rosanna Bonaccorsi, P. Palla, J. Tomasi · Journal of the American Chemical Society · 1984 · 223 citations

Natural Sciences, Biochemistry, Chemistry +11

Theoretical chemistry in solution. Some results and perspectives of the continuum methods and in particular of the polarizable continuum model

Jacopo Tomasi, Rosanna Bonaccorsi, Roberto Cammi et al. · Journal of Molecular Structure THEOCHEM · 1991 · 201 citations

Natural Sciences, Chemistry, Physics +15

The molecular electrostatic potentials for the nucleic acid bases: Adenine, thymine, and cytosine

Rosanna Bonaccorsi, A. Pullman, Eolo Scrocco et al. · Theoretical Chemistry Accounts · 1972 · 188 citations

Life Sciences, Biochemistry, Molecular Biology +14