On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures

B. Zarychta , V. Pichon-Pesme (1) , B. Guillot (1) , C. Lecomte (1) , C. Jelsch (1)

1 LCM3B - Laboratoire de Cristallographie et modélisation des matériaux minéraux et biologiques

Domaines: Autre [cond-mat.other]

B. Zarychta, V. Pichon-Pesme, B. Guillot, C. Lecomte, C. Jelsch. On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures. Acta Crystallographica Section A : Foundations of Crystallography [1968-2013], 2007, 63, pp.108-125. ⟨10.1107/S0108767306053748⟩. ⟨hal-00204860⟩