[CP2K-user] [CP2K:12869] Citation for PNNL semiempirical

Thomas Kühne tku... at gmail.com
Sun Feb 9 19:02:18 UTC 2020

Please have a look at: https://pubs.acs.org/doi/abs/10.1021/jp110481m
and references therein. 


> Am 09.02.2020 um 18:04 schrieb MD Simulation <mdsimula... at gmail.com>:
> Is there a citation for the PNNL semiempirical?
> Thanks
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Thomas D. Kühne
Dynamics of Condensed Matter
Chair of Theoretical Chemistry
University of Paderborn
Warburger Str. 100
D-33098 Paderborn
tdku... at mail.upb.de

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