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Introduction to Structure Solution from XRay Powder Data
The New Package EXPO2002
The Use of Differential Evolution in Structure Solution from Powder Diffraction Data
4 other sections not shown
Acta Cryst algorithm Altomare Appl applied asymmetric unit beamline bond distances calculated carboxylate CASTEP cations Chekcell Chem complex coordination Crysfire crystal structure crystallographic cycles defined degrees of freedom density Dicvol direct space disodium terephthalate energy entropy equivalent positions EXPO function geometry Giacovazzo global optimisation Guagliardi heavy atoms high pressure hydrogen bonds ICDD indexing programs initial inorganic laboratory located M.I. McMahon maximum mirror plane Mmap molecular Moliterni monoclinic Monte Carlo methods N-TREOR neutron obtained optimization orthorhombic parameters peak profiling phase Phys powder data powder diffraction data powder diffraction pattern powder pattern problem procedure PSSP R.J. Nelmes ranitidine reflections remacemide Rietveld refinement sample Shankland simulated annealing single crystal solution from powder solved space group structural model structure determination structure solution symmetry synchrotron techniques temperature terephthalate anion terephthalate dihydrate torsion angles Tremayne Treor unit cell values water molecules X-ray diffraction X-ray powder diffraction