Binding free energies in the SAMPL5 octa-acid host–guest challenge calculated with DFT-D3 and CCSD(T)

Location
Deutsche Nationalbibliothek Frankfurt am Main
ISSN
1573-4951
Extent
Online-Ressource
Language
Englisch
Notes
online resource.

Bibliographic citation
Binding free energies in the SAMPL5 octa-acid host–guest challenge calculated with DFT-D3 and CCSD(T) ; day:6 ; month:9 ; year:2016 ; pages:1-20
Journal of computer aided molecular design ; (6.9.2016), 1-20

Creator
Caldararu, Octav
Contributor
Olsson, Martin A.
Riplinger, Christoph
Neese, Frank
Ryde, Ulf
SpringerLink (Online service)

DOI
10.1007/s10822-016-9957-5
URN
urn:nbn:de:1111-2016100615077
Rights
Der Zugriff auf das Objekt ist unbeschränkt möglich.
Last update
2025-08-14T11:01:43+0200

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Associated

  • Caldararu, Octav
  • Olsson, Martin A.
  • Riplinger, Christoph
  • Neese, Frank
  • Ryde, Ulf
  • SpringerLink (Online service)

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