Structure and Function

1. Molecular Associations Determined from Free Energy Calculations
Kevin J. Naidoo

2. Molecular Modelling for Systems Containing Transition Metal Centres
Robert J. Deeth

3. Magnetic Anisotropy in Cyanide Complexes of First Row Transition Metal Ions
Mihail Atanasov, Peter Comba

4. Structure and Function: Insights into Bioinorganic Systems from Molecular Mechanics Calculations
Helder M. Marques, Timothy J. Egan, Katherine A. Villiers

5. Artificial Photosynthetic Reaction Center
Shunichi Fukuzumi

6. Multifrequency EPR Spectroscopy: A Toolkit for the Characterization of Mono- and Di-nuclear Metal Ion Centers in Complex Biological Systems
Graeme R. Hanson

7. On Stacking
Martin Egli

8. Structurally Complex Intermetallic Thermoelectrics – Examples from Modulated Rock-Salt structures and the System Zn-Sb
Sven Lidin

9. Solid State Transformations in Crystalline Salts
Susan A. Bourne, Nikoletta B. Báthori, Lesego J. Moitsheki

10. Influence of Size and Shape on Inclusion Properties of Transition Metal-Based Wheel-and-Axle Diols
Alessia Bacchi, Mauro Carcelli

Keywords: Chemistry, Inorganic Chemistry, Theoretical and Computational Chemistry, Crystallography, Materials Science, general