Understanding Single-Crystal X-Ray CrystallographyEndlich ein Lehrbuch der Röntgenkristallstrukturanalyse von Einkristallen, das ohne weitreichende Vorkenntnisse in Mathematik auskommt! Theorie und methodische Grundlagen werden logisch strukturiert und gut verständlich dargestellt; der Band ist in sich geschlossen und erfordert keine Zusatzliteratur. Für Studenten oberer Semester, Diplomanden und Doktoranden sowie zum Einstieg für Anwender aus allen naturwissenschaftlichen Disziplinen. |
Contents
Understanding SingleCrystal XRay Crystallography Dennis W Bennett | 67 |
Theory | 195 |
Experiment | 265 |
Data | 339 |
Experimental | 497 |
Statistical | 571 |
Crystal Structure Refinement | 673 |
Appendix | 747 |
Determination of the Phase Parameter in the Amplitude | 753 |
EA Discussion of Kinematical Models for Extinction | 763 |
G Monte Carlo Optimization A Simple Example | 773 |
Taylor Series | 787 |
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Common terms and phrases
absorption ac plane amplitude assigned asymmetric unit atom atom locations average Bravais lattice calculated Cartesian centrosymmetric components constrained coordinate system cos² create crystal structure Crystallography detector determine diad diad axes diad rotation diagonal diffracted beam diffraction condition direct lattice displacement displacement vector electric field electron density enantiomorph energy equation Fourier fractional coordinates function glide planes heavy atom illustrated in Fig incident beam indices integral intensity intersection inversion center lattice point magnitude matrix maxima mirror plane molecule monoclinic multiple observed origin oscillators parallel parameters Patterson function Patterson map peaks perpendicular photons point group positions radiation reciprocal lattice vector refinement reflection resulting rotation axis scattering factor screw axis sin² space group sphere starting set structural solution structure factor symbol symmetry elements symmetry operations symmetry-equivalent transformation triplet relationships unit cell variables variance wave X-ray xf yf zf zero



