Acta Crystallographica Section B
Acta Crystallographica
Section B
STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS
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Acta Cryst.
(2012).
B
68
,
625-635
https://doi.org/10.1107/S0108768112040724
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Charge-density distribution in potassium dihydrogen phosphoglycolate - a comparison of phosphate and phosphonate groups
A. Mermer
and
P. Starynowicz
Charge-density distribution in potassium dihydrogen phosphoglycolate, K(HO
3
POCH
2
COOH), has been studied experimentally and by density-functional theory (DFT) calculations; the results have been compared with simple phosphonates.
Keywords:
charge density distribution
;
phosphoglycolate
;
density-functional theory calculations
.
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