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NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

Author:

M. Valiev,E.J. Bylaska,N. Govind,K. Kowalski,T.P. Straatsma,H.J.J. Van Dam,D. Wang,J. Nieplocha,E. Apra,T.L. Windus,W.A. de Jong

Publication:

Computer Physics Communications

Publisher:

Elsevier

Date:

September 2010

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