Experimental and theoretical electronic charge densities in molecular crystals

Electronic charge density distribution in molecular systems has been descri bed in terms of the topological properties. After briefly reviewing methods of obtaining charge densities from X-ray diffraction and theory, typical c ase studies are discussed. These studies include rings and cage systems, hy drogen bonded solids, polymorphic solids and molecular NLO materials. It is shown how combined experimental and theoretical investigations of charge d ensities in molecular crystals can provide useful insights into electronic structure and reactivity. (C) 2000 Elsevier Science B.V. All rights reserve d.