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对瞬时正常模式（INM）理论的应用。 斯特拉特希望超越他以前的限制，线性，和谐的图片液体动力学，同时仍然保留足够的语言模式，允许理解的分子机制。 在这样做的时候，斯特拉特试图扩大短期INM的方法，并使其更接近长期流体动力学思想的解决方案。 斯特拉特还将寻求研究二维拉曼光谱的分子起源，这是由于其存在的非线性和内在的非谐性，存在于液体motion.The问题的影响，溶剂的动力学和化学反应的结果是至关重要的化学，因为大多数化学反应在自然界和化学工业中发生在溶剂的存在。 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.