LCPQ/EMSL_Basis_Set_Exchange_Local
10
0
Fork 0
mirror of https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local synced 2024-12-22 12:23:39 +01:00
Code Issues Releases Wiki Activity

Merge branch 'master' of github.com:TApplencourt/EMSL_Basis_Set_Exchange_Local

Browse Source
This commit is contained in:
Thomas Applencourt 2014-11-24 12:22:43 +01:00
commit 361def234e
1 changed files with 11 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

11
README.md
View File

@ -47,6 +47,17 @@ Feel free to fork/pull request.
##Disclaimer
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.
>-- <cite>http://www.pnl.gov/notices.asp</cite>