S. Tolosa

Polarizable continuum model calculations including electron correlation in the ab initio wavefunction

Fernando Valle, M. Aguilar, S. Tolosa · Journal of Molecular Structure THEOCHEM · 1993 · 39 citations

Electron Correlation, Engineering, Physics +9

About the overestimation of the basis set superposition error on interaction energy calculations for van der Waals systems

Fernando Valle, S. Tolosa, J.J. Esperilla et al. · The Journal of Chemical Physics · 1986 · 29 citations

Quantum Science, Engineering, Physics +12

Solute-solvent interactions. Adaptation of the cavity size as a function of the basis set

M. Aguilar, Miguel Ángel Carbonero Martín, S. Tolosa et al. · Journal of Molecular Structure THEOCHEM · 1988 · 23 citations

Interface Chemistry, Engineering, Interfacial Phenomenon +10

Applications of the basic polarizable continuum model. A study of the vibrational properties of diatomic solutes

Fernando Valle, M. Aguilar, S. Tolosa et al. · Chemical Physics · 1990 · 22 citations

Physics, Natural Sciences, Diatomic Solutes +7

Amide-imide tautomerism of acetohydroxamic acid in aqueous solution: quantum calculation and SMD simulations

S. Tolosa, Nelaine Mora‐Diez, J.A. Sansón · RSC Advances · 2014 · 20 citations

Asymmetric Catalysis, Amide-imide Tautomerizations, Acetohydroxamic Acid +15