Charge-density distribution in potassium dihydrogen phosphoglycolate – a comparison of phosphate and phosphonate groups

Mermer, A.; Starynowicz, P.

doi:10.1107/S0108768112040724

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

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Figure 3
Laplacian profiles calculated with step 0.05 Å along the bond paths for (a) P—O5; (b) O3—C2; (c) C1—O1; (d) C1—C2. The x axis represents the distance from the bond-critical points (x = 0) in both directions along the bond paths. The Y axis represents ∇²ρ_c (e Å⁻⁵).

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 68| Part 6| October 2012| Pages 625-635

doi:10.1107/S0108768112040724

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