A theoretical study of two novel Schiff bases as inhibitors of carbon steel corrosion in acidic medium

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

Density functional approach to the frontier-electron theory of chemical reactivity

Robert G. Parr, Weitao Yang · Journal of the American Chemical Society · 1984 · 3.6K citations

Natural Sciences, Chemistry, Computational Chemistry +8

Absolute electronegativity and hardness: application to inorganic chemistry

Ralph G. Pearson · Inorganic Chemistry · 1988 · 3.4K citations

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The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines

Weitao Yang, Wilfried J. Mortier · Journal of the American Chemical Society · 1986 · 1.9K citations

Natural Sciences, Chemistry, Analytical Chemistry +6

Corrosion Inhibitors—Correlation Between Electronic Structure and Efficiency

E. Kálmán, F. Zucchi · CORROSION · 2001 · 1.1K citations

Natural Sciences, Chemistry, Corrosion Science +16