Article | REF: J2116 V1

COSMO-RS: applications in formulation

Authors: Théophile GAUDIN, Jean-Marie AUBRY

Publication date: July 10, 2023

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9. Glossary

Conducteur parfait; Ideal conductor, Perfect conductor

COSMO-RS reference medium. A chemical potential of 0 calculated by COSMO-RS means that the molecule has on average the same energy in the solvent under consideration as in the perfect conductor.

Facet; Surface Segment

In a computer, the (theoretically smooth) COSMO surface is represented numerically by a set of small, flat, oriented fragments, for discretization purposes. These fragments are called "facets" in this article, and typically "segments" in the English-language literature.

COSMO file; COSMO file

File storing a COSMO surface in a computer.

HBA ;

Acronym for "hydrogen bond acceptor".

HBD ;...

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