LCPQ/EMSL_Basis_Set_Exchange_Local
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Thomas Applencourt 2014-11-24 12:22:43 +01:00
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README.md
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##Disclaimer ##Disclaimer
It'is not a official API. Use it with moderation. It'is not a official API. Use it with moderation.
In papers where you use the basis sets obtained from the Basis Set Exchange please site this :
>The Role of Databases in Support of Computational Chemistry Calculations
>
>>--<cite>Feller, D.; J. Comp. Chem., 17(13), 1571-1586, 1996.</cite>
>Basis Set Exchange: A Community Database for Computational Sciences
>
>>--<cite>Schuchardt, K.L., Didier, B.T., Elsethagen, T., Sun, L., Gurumoorthi, V., Chase, J., Li, J., and Windus ; T.L.
>>J. Chem. Inf. Model., 47(3), 1045-1052, 2007, doi:10.1021/ci600510j.</cite>
And don't forget:
>These documents may be freely distributed and used for non-commercial, scientific and educational purposes. >These documents may be freely distributed and used for non-commercial, scientific and educational purposes.
>-- <cite>http://www.pnl.gov/notices.asp</cite> >-- <cite>http://www.pnl.gov/notices.asp</cite>