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

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Acta Cryst. (2002). B58, 815-822
https://doi.org/10.1107/S0108768102009102

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Terephthalate salts of dipositive cations

J. A. Kaduk

The structure of a series of divalent metal terephthalate salts was determined by applying Monte Carlo simulated annealing techniques to X-ray powder data. The hydrogen bonding was characterized using quantum calculations.

Keywords: terephthalate salts; hydrogen bonding; Monte Carlo simulated annealing techniques; synchrotron powder diffraction data; Rietveld method.

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