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. 2012 Aug 13;4:17. doi: 10.1186/1758-2946-4-17

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Copyright ©2012 Hanwell et al.; licensee Chemistry Central Ltd.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License ( http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Dialog for generating input for quantum codes. Dialogs for generating input for Q-Chem, NWChem, Molpro and MOPAC200x. Note that the dialogs are similar in interface, allowing users to use multiple computational chemistry packages.