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 · 911 citations

Molecular Surface, Engineering, Computational Chemistry +18

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

Surface Cavity, Cavitating Flow, Engineering +15

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 · 312 citations

Engineering, Repulsion Term, Computational Chemistry +18

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

Juan-Luis Pascual-Ahuir, Estanislao Silla · Journal of Computational Chemistry · 1990 · 262 citations

Molecular Surface, Engineering, Computational Chemistry +19

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

Molecular Surface, Engineering, Computational Chemistry +19