Electron crystallography and non-linear optics.
作者信息
Voigt-Martin I G
机构信息
Institut für Physikalische Chemie der Universität Mainz, D 55099 Mainz, Germany.
出版信息
Microsc Res Tech. 1999 Aug 1;46(3):178-201. doi: 10.1002/(SICI)1097-0029(19990801)46:3<178::AID-JEMT3>3.0.CO;2-M.
Abstract
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.
摘要
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