Theory of Chemical Reactions in Solution and at Surfaces

科罗拉多大学的詹姆斯·T·海恩斯得到了理论和计算化学研究计划的支持，该计划正在扩展和改进他之前在溶液和表面化学反应理论方面的工作。目前正在实施三个项目：(1)涉及锥形交叉点的动力学的理论描述；(2)离子溶剂化壳层中水分子的振动动力学的研究；(3)大气化学中的三个专题，包括冰表面硝酸吸收的机制、硝酸盐气溶胶在平流层中的作用以及拟议的涉及气溶胶表面的生前多肽键形成机制。这项工作对大气化学和生物化学产生了广泛的影响。

James T. Hynes of the University of Colorado is supported by the Theoretical and Computational Chemistry Program for research which is extending and improving his prior work on the theory of chemical reactions in solution and at surfaces. Three projects are being carried out: (1) a theoretical description of dynamics involving conical intersections; (2) a study of the vibrational dynamics of water molecules in the solvation shell of ions; and (3) three topics in atmospheric chemistry including the mechanism of nitric acid uptake on ice surfaces, the role of nitrate aerosols in the stratosphere and a proposed mechanism of prebiotic peptide bond formation involving aersol surfaces. The work is having a broad impact in atmospheric chemistry and biochemistry.