Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results

Zavodnik, V.; Stash, A.; Tsirelson, V.; Vries, R. de; Feil, D.

doi:10.1107/S0108768198005746

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

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 7
Partial R factors as function of $[\sin\theta]$ /λ expressing the difference between structure factors calculated by various quantum-mechanical methods: HF, DFT/LDA and DFT/GGA.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 55| Part 1| February 1999| Pages 45-54

doi:10.1107/S0108768198005746

Follow Acta Cryst. B

Search IUCr Journals		doi		Advanced search
Author		volume	page