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DOE OSTI · 1033851

Gn theory.

Abstract

A review of the Gaussian-n (Gn) methods for accurate calculations of molecular energies is presented. The review includes an overview of the test sets that have been developed for assessing quantum chemical methods. This is followed by a description of the G2, G3, and G4 family of methods along with information on their performance on the test sets.

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BibTeXRIS

Curtiss, L A, Redfern, P C, Raghavachari, K. 2011-09-01. Gn theory.. https://doi.org/10.1002/wcms.59

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