Experimental-Computational Investigations into Diels-Alder Sequences

Diels-Alder 序列的实验计算研究

• 批准号: DP0665161
• 负责人: Prof Michael Sherburn
• 金额: $ 19.74万
• 依托单位: The Australian National University
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Projects
• 财政年份: 2006
• 资助国家: 澳大利亚
• 起止时间: 2006-01-01 至 2008-12-31
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP0665161
• 关键词: Experimental; Computational; Investigations; into; Diels

Organic molecules are an integral part of our world - in us, around us and, importantly, in our medicines. Chemists design experiments to make specific molecules by mixing the appropriate chemicals. Often, however, the outcome can't be predicted. We are developing ways to accurately predict these outcomes using computer modelling of chemical reactions. This will allow us to better understand reactions and make molecules more efficiently. Such research is the basis for the development of new pharmaceuticals. Few people in Australia are working in this area and we expect to train four to six people during the course of this project.

有机分子是我们这个世界不可分割的一部分——在我们体内，在我们周围，更重要的是，在我们的药物中。化学家设计实验，通过混合适当的化学物质来制造特定的分子。然而，结果往往是无法预测的。我们正在开发利用化学反应的计算机模型来准确预测这些结果的方法。这将使我们更好地理解反应，更有效地制造分子。这种研究是开发新药的基础。在澳大利亚很少有人从事这方面的工作，我们希望在这个项目的过程中培训4到6人。