Research

Dielectric Medium Self-consistent reaction field (SCRF) methods based on multiple expansions

Dielectric Medium Self-consistent reaction field (SCRF) methods based on multiple expansions

Self-consistent reaction field (SCRF) methods based on multiple expansions are the most popular approaches in incorporation solvation effect in quantum chemical calculations. The Onsager SCRF model was first implemented in the most popular and widely used Gaussian series of programs by Wong, Frisch and Wiberg. The implementation and application of this SCRF method were described in Journal of American Chemistry Society (1991, 113, 4776-4782). The total citations of this landmark paper have reached 1000 recently!

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