Publication | Closed Access
Application of simulated annealing approach for structure solution of molecular crystals from X-ray laboratory powder data
84
Citations
29
References
2001
Year
X-ray CrystallographyCrystal StructureX-ray SpectroscopyEngineeringMolecular BiologyComputational ChemistryAbstract SimulatedStructure DeterminationStructure ElucidationMolecular CrystalsUnknown Molecular StructuresCrystal FormationMaterials ScienceStructural FragmentsCrystallographyCrystal Structure DesignStructural BiologyNatural SciencesX-ray DiffractionApplied PhysicsStructure Solution
Abstract Simulated annealing approach was successfully applied to solve three unknown molecular structures from X-ray laboratory powder data using a priory known structural fragments. Some possible developments of the method are discussed.
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