Binding free energies in the SAMPL5 octa-acid host–guest challenge calculated with DFT-D3 and CCSD(T)
Crossref DOI link: https://doi.org/10.1007/s10822-016-9957-5
Published Online: 2016-09-06
Published Print: 2017-01
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Caldararu, Octav
Olsson, Martin A.
Riplinger, Christoph
Neese, Frank
Ryde, Ulf http://orcid.org/0000-0001-7653-8489
Funding for this research was provided by:
VetenskapsrĂĄdet (2014-5540)
Knut och Alice Wallenbergs Stiftelse (KAW 2013.0022)
License valid from 2016-09-06