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Titel:
„Predictability of crystal structures of inorganic solids“
(Hünfeld, Oktober 1997)
H. Burzlaff (Herausgeber – editor)
200 Seiten
Inhalt – Table of contents:
| 1 | On Structural Descriptors | H. Burzlaff |
| 2 | Crystal Structures as Projections | W.E. Klee |
| 3 | The relationship between chemistry and space group symmetry in inorganic crystals | I.D. Brown |
| 4 | Concerning Inorganic Crystal Strcuture Types | G. Bergerhoff |
| 5 | Vorhersage möglicher Kristallstrukturtypen mit Hilfe der kristallographischen Gruppentheorie | U. Müller |
| 6 | Supergroups of Space Groups and their Application in the prediction of Structural Phase Transitions | J.M. Perez-Mato |
| 7 | Prediction of Structural Features of Valence Compounds with Anionic Tetrahedron Complexes | E. Parthé |
| 8 | Prediction of Modular Crystal Structures | E. Makovicky |
| 9 | Structure Prediction of Compounds in the Solid State using global Optimisation to investigate the Corresponding Energy Landscape. Part I: General aspects | M. Jansen |
| 10 | Structure Prediction of Compounds in the Solid State using global Optimisation to investigate the Corresponding Energy Landscape. Part I: Examples | J.C. Schön |
| 11 | Simulating the Crystal Structures and Properties of Ionic Material from Interatomic Potentials | J.D. Gale |
| 12 | Calculations by the Density Functional Theory | K.H. Schwarz |
| 13 | V. Urusov | |
| 14 | Structure predictions by minimization of cohesion energy of partially covalent crystals | V. Urusov |
| 15 | Computer Simulation of Point Defects in Crystals | K. Wright |
| 16 | Ab initio calculations as a crystallographic tool | B. Winkler |