Implications of Molecular and Materials Structure from New Technologies

Into the new millennium - the present and future of crystal structure analysis, J.D. Dunitz; modern neutron diffraction methods, C.C. Wilson; electron densities and electrostatic properties of materials from high resolution X ray diffraction, C. Lecomte; dynamic processes and disorder in materials as seen by temperature-dependent diffraction experiments, H.-B. Buergi, S.C. Capelli; atomic displacement parameters, vibrational spectra and thermodynamic functions for crystals - strong connection, C.M. Gramaccioli; molecular mechanics modelling of transition metal compounds, P. Comba; modelling structural, spectroscopic and redox properties of transition metal compounds, P. Comba; molecules in crystals - what makes them different? K. Hermansson; a new ab initio powder method and profile refinement in materials design - application to polymer electrolytes, P. Bruce, et al; quantum mechanical modelling of structure evolution of transition metal clusters and metallocarbohedrenes, Hansong Cheng, Lai-Sheng Wang; solid-state reactivity and implications for catalytic processes, E.V. Boldyreva; weak interactions in molecular crystals; J.D. Dunitz; weak hydrogen bonds, T. Steiner; direct and indirect roles of metal centres in hydrogen bonding, L. Brammer; supramolecular organization in organometallic crystals, F. Grepioni, D. Braga; theoretical approaches to the study of non-bonded interactions, S.L. Price; intermolecular interactions in molecular crystals studied by ab initio methods from isolated interactions to patterns and crystals, J.J. Novoa; systematic study of crystal packing, C.P. Brock; molecular shape as a design criterion, R.E. Davis, et al; graph set analysis of hydrogen bond motifs, J. Bernstein, R.E. Davis; crystallographic databases and knowledge bases in materials design, F.H. Allen, G.P. Shields; computational approaches to crystal structure and polymorph prediction, F.J.J. Leusen, et al; developing methods of crystal structure and polymorph prediction, S.L. Price; current challenges in crystal engineering, G.R. Desiraju.