An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

IUCr IT WDC

view article

Figure 4
Average signed errors in hydrogen-bond lengths, $[\Delta L]$ , for the validation set energy minimized using each of the force fields.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Open

access

Follow Acta Cryst. B

Search IUCr Journals		doi		Advanced search
Author		volume	page