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Acta Cryst anthracene approximation to Christofides benzylpenicillin best lexicographic tour coefficient complete graph computational consistently produced copyright International Union CORNELL UNIVERSITY CPU-time crystal and molecular detector diffraction pattern dual lattice edges electron density function Electron density maps EXPERIMENTS IN X-RAY four-circle diffractometer Fourier series method High Energy improvement heuristic instance arising intensity interchanges J.M. Robertson Johnson LARGE TRAVELING SALESMAN large TSP instances lexicographic method Lin and Kernighan Lin-Kernighan heuristic lower bound matching problem McGeoch minimum length molecular structure monochromatic x-rays motors napthalene nodes observable triples odd vertex odd vertices odd-degree vertices optimal length preprocessing problem instances PROBLEMS ARISING reposition the apparatus Reprinted with permission resulted in improvement Rothberg sequencing the readings settings corresponding slewing spanning tree Structure investigation structure of penicillin substantial improvements tested TRAVELING SALESMAN PROBLEMS traveling salesman tour triple Fourier series TSP heuristics twelve instances Two-opt two-optimal Union of Crystallography wavelength x-ray crystallographic X-RAY CRYSTALLOGRAPHY x-ray diffraction