Juan-Luis Pascual-Ahuir

GEPOL: An improved description of molecular surfaces. III. A new algorithm for the computation of a solvent‐excluding surface

Juan-Luis Pascual-Ahuir, Estanislao Silla, Iñaki Tuñón · Journal of Computational Chemistry · 1994 · 925 citations

Natural Sciences, Chemistry, Computational Chemistry +15

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

Dispersion and repulsion contributions to the solvation energy: Refinements to a simple computational model in the continuum approximation

Franca Maria Floris, J. Tomasi, Juan-Luis Pascual-Ahuir · Journal of Computational Chemistry · 1991 · 314 citations

Natural Sciences, Chemistry, Physics +14

GEPOL: An improved description of molecular surfaces. I. Building the spherical surface set

Juan-Luis Pascual-Ahuir, Estanislao Silla · Journal of Computational Chemistry · 1990 · 263 citations

Natural Sciences, Chemistry, Computational Chemistry +10

GEPOL: An improved description of molecular surfaces II. Computing the molecular area and volume

Estanislao Silla, Iñaki Tuñón, Juan-Luis Pascual-Ahuir · Journal of Computational Chemistry · 1991 · 251 citations

Natural Sciences, Chemistry, Computational Chemistry +12