Free Radicals in Chemistry and Biology: A Computational Quantum Chemistry Investigation

该提案旨在使用计算机而不是传统的实验室技术进行最先进的化学研究。自由基在价值数十亿美元的聚合物和健康产业中具有广泛的重要性，构成了该提案的核心。这些是高活性物质，很难通过传统的实验技术进行研究，但使用计算机进行研究是理想的。这项研究对自由基的理解的增加可能有助于应对衰老，以及动脉硬化和维生素B12缺乏等疾病。它还将导致在新一代化学家的最高水平的培训，在这个令人兴奋的领域“化学与计算机”。

This proposal aims to carry out state-of-the-art chemistry research using computers rather than traditional laboratory techniques. Free radicals, which have widespread importance in the multibillion dollar polymer and health industries, form the centrepiece of the proposal. These are highly reactive substances that are difficult to study by conventional experimental techniques but ideal to study using computers. The increased understanding of free radicals that will stem from this research may help in dealing with ageing, and afflictions such as hardening of the arteries and vitamin B12 deficiency. It will also result in the training at the highest level of new generations of chemists in this exciting field of "chemistry with computers".