Electron crystallography and non-linear optics

Electron crystallography can be used to obtain specific information about m olecular parameters such as the polarisability, dipole moment, and hyperpol arisability. In this, work we show how a combination of quantum mechanics a nd simulation methods can be used to solve several unknown organic structur es and how the calculated molecular parameters can be used to predict the c orresponding physical properties of the crystals. Microsc. Res. Tech. 46:00 -00, 1999. (C) 1999 Wiley-Liss, Inc.