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Q-Chem: an engine for innovation

Krylov, Anna; Gill, Peter


Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that enable fast calculations of large systems on regular laboratory workstations using density functional

CollectionsANU Research Publications
Date published: 2013
Type: Journal article
Source: Wiley Interdisciplinary Reviews - Computational Molecular Science
DOI: 10.1002/wcms.1122


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