Molecular crystals, magnetism theoretical study

THEORETICAL STUDY OF THE MAGNETISM IN MOLECULAR CRYSTALS USING A FIRST-PRINCIPLES BOTTOM-UP METHODOLOGY... 

Finally, soHd-state physicists make use of molecular crystals when they wish to understand certain aspects of soUd-state physics better theoretically and experimentally. Weak intermolecular bonding forces, electrical conductivity with a very narrow handwidth, large anisotropies in their electrical, optical and magnetic properties, one-dimensional conductivity. Unear excitons, and linear magnetic ordering states are best studied in these material classes. 

Catti M, Valerio G, Dovesi R (1995) Theoretical study of electronic, magnetic, and stractural properties of a-Fc203 (Hematite). Phys Rev B Cond Mat 51 7441-7450 Causa M, Dovesi R, Pisani C, Roetti C (1989) Ab initio characterization of the (0001) and (1010) crystal faces of a-alumina. Surf Sci 215 259-271 Cerius User Guide (1997) Molecular Simulations Inc., San Diego. 

Size-dependent structure and properties of Earth materials impact the geological processes they participate in. This topic has not been fully explored to date. Chapters in this volume contain descriptions of the inorganic and biological processes by which nanoparticles form, information about the distribution of nanoparticles in the atmosphere, aqueous environments, and soils, discussion of the impact of size on nanoparticle structure, thermodynamics, and reaction kinetics, consideration of the nature of the smallest nanoparticles and molecular clusters, pathways for crystal growth and colloid formation, analysis of the size-dependence of phase stability and magnetic properties, and descriptions of methods for the study of nanoparticles. These questions are explored through both theoretical and experimental approaches. 

In this article we present a study of the molecular properties of LCft, employing dynamic magnetic resonance techniques. The second chapter briefly reviews the characteristic features of liquid crystal (LC) mesophases. In particular, the various classes of LCPs are discussed with respect to their chemical structures. The following chapter deals with the various magnetic resonance techniques. First, the experimental basis is presented. Then typical results are given to demonstrate the applicability of the methods. A short introduction to the theoretical background concludes this section. 

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