Evaluating the enthalpic contribution to ligand binding using QM calculations: effect of methodology on geometries and interaction energies

Duangkamol Gleeson, Ben Tehan, M. Paul Gleeson, Jumras Limtrakul
  • Organic & Biomolecular Chemistry, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2ob25657f
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