Anharmonicities and Nonlinearities in Liquids

布朗大学的理查德·斯特拉特得到了理论和计算化学项目的资助，通过引入液体中的非谐性和非线性来扩展他的瞬时简正模式(INM)理论的应用。斯特拉特希望超越他之前关于液体动力学的线性调和图像的限制，同时仍然保留足够的模式语言，以允许理解分子机制。通过这样做，Stratt试图扩大短期INM方法，并使其更接近于用长期流体动力学思想来解决。斯特拉特还将研究二维拉曼光谱的分子起源，这种光谱的存在归因于非线性和液体运动中存在的固有非谐性。鉴于自然界和化学工业中的大多数化学反应都是在溶剂存在的情况下发生的，溶剂对化学反应动力学和结果的影响问题对化学至关重要。斯特拉特的研究将有助于在分子水平上更好地理解决定溶质性质受周围溶剂存在影响的因素。

Richard Stratt of Brown University is supported by a grant from the Theoretical and Computational Chemistry Program to extend his applications of the Instantaneous Normal Mode (INM) theory by the introduction of anharmonicities and nonlinearities in liquids. Stratt hopes to transcend the limitations of his previous linear, harmonic picture for liquid dynamics while still retaining enough of the language of modes to permit an understanding of the molecular mechanisms. In doing so Stratt seeks to broaden the short-time INM approach and bring it closer to resolution with the long-time hydrodynamic ideas. Stratt will also seek to examine the molecular origins of two-dimensional Raman spectroscopy which owes its existence to nonlinearity and the intrinsic anharmonicity that exists in liquid motions.The question of the influence of solvents on the dynamics and outcome of chemical reactions is of central importance to chemistry, given that most chemical reactions in nature and in chemical industry occur in the presence of solvents. Stratt's research will help to gain a better understanding, on the molecular level, of the factors that determine the way the properties of a solute are influenced by the presence of surrounding solvent.