Electron crystallography and non-linear optics.
Electron crystallography can be used to obtain specific information about molecular parameters such as the polarisability, dipole moment, and hyperpolarisability. In this, work we show how a combination of quantum mechanics and simulation methods can be used to solve several unknown organic structures and how the calculated molecular parameters can be used to predict the corresponding physical properties of the crystals.
Institut für Physikalische Chemie der Universität Mainz, D 55099 Mainz, Germany. voightmar@mail.uni-mainz.de
I G
IG
Voigt-Martin
D003198:Computer Simulation; D003461:Crystallography / Q000379:methods*; D004577:Electron Probe Microanalysis; D007091:Image Processing, Computer-Assisted; D008854:Microscopy, Electron / Q000379:methods*; D008958:Models, Molecular; D055095:Optics and Photonics; D011208:Powders / Q000737:chemistry; D012107:Research Design
D011208:Powders