Spectra, dynamics of intermolecular forces in small molecules and molecular clusters

点击翻译按钮获取中文摘要

The forces between molecules and between the individual atoms within a molecule are responsible for most physical and chemical properties of gases, liquids and solids, and they govern the exchange of energy by molecular collisions in the atmosphere and other environments. The best experimental probe of such interactions is the discrete high resolution spectroscopy of pairs of interacting atoms and molecules. In particular, experimental observations of the particular patterns of "colours" (or wavelengths) of light absorbed or emitted by a particular molecular species can in principle be inverted to yield a detailed knowledge of these forces. A central theme of the proposed work is the development and application of theoretical and computational methods for extracting such information from experimental data, and for predicting other molecular phenomena using the resulting knowledge of intermolecular potential energy functions.