U.S.-Poland Research on Spontaneous and Radiation Induced Tautomerism in Nucleic Acid Bases

美国和波兰研究的主要目的是 大学的Ludwick Adamowicz博士 亚利桑那州和M.美国物理研究所的诺瓦克说， 波兰科学院将研究 在核酸碱基及其衍生物中， 自发发生或由UV辐射引起。 的 研究人员打算继续开发从头算 更精确计算的量子化学技术 电子结构和激发电子 states. 多体微扰理论（MBPT） 耦合簇方法将被扩展到研究 电子激发过程和显影优化 相关轨道技术的基础上， Hylleraas功能。 结果预计 发展理论方法， 通过基质隔离的实验方法 光谱和扩展的红外光谱的理解 一组分子在气相中，以及 描述相互作用和化学作用的机制 这些分子在UV辐射下的转化。 这个理论化学项目实现了 通过以下方式提高科学知识的计划目标 使美国的顶尖专家和 东欧将联合收割机互补人才， 共同感兴趣领域的研究资源 和能力。

The primary objective of this US-Poland research project between Dr. Ludwick Adamowicz of the University of Arizona and Dr. M. Nowak of the Physics Institute of the Polish Academy of Sciences is to study the tautomerism process in nucleic acid bases and their derivatives that occur spontaneously or are invoked by UV radiation. The researchers intend to continue developing ab-initio quantum chemical techniques for more accurate calculations of electronic structures and of excited electronic states. Many-body perturbation theory (MBPT) and coupled-cluster methods will be extended to study electron excitation processes and develop optimization techniques for correlation orbitals based on the Hylleraas functional. The results are expected to develop theoretical methodologies that will be combined with experimental approaches of matrix isolation spectroscopy and extend understanding of the IR spectra of a group of molecules in the gas-phase, as well as to describe the mechanism of the interaction and chemical transformation of these molecules upon UV radiation. This project in theoretical chemistry fulfills the program objective of advancing scientific knowledge by enabling leading experts in the United States and Eastern Europe to combine complementary talents and pool research resources in areas of strong mutual interest and competence.