Molecular and Reactivity Modelling for Improved Undergraduate Education & Research in Chemistry

改善本科教育的分子和反应建模

• 批准号: 9351254
• 负责人: Richard Paselk
• 金额: $ 1.75万
• 依托单位: Humboldt State University Foundation
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-08-15 至 1996-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9351254&HistoricalAwards=false
• 关键词: Molecular; Reactivity; Modelling; Improved; Undergraduate

9351254 Paselk The project will purchase equipment to set up an advanced molecular modeling workstation to enhance the undergraduate research and instruction in biochemistry, physical chemistry, inorganic chemistry, and organic chemistry. This system will implement student modeling of chemical processes and reactions to enhance their understanding and chemical intuition. The Visualizer also provides for the independent movement of molecules for docking and observing molecular-orbital interactions. These facilities will allow physical chemistry students to follow fundamental processes in chemistry such as bond formation and to visualize the molecular orbitals involved in spectroscopic transitions. Students in advanced inorganic chemistry will create and display the HOMO's, LUMO's, calculated spectra, stereochemistry to better understand bonding and reactivity in transition-metal complexes and other systems. ***

本项目将购买设备，建立先进的分子建模工作站，以加强本科生在生物化学、物理化学、无机化学和有机化学方面的研究和教学。该系统将使学生对化学过程和反应进行建模，以增强他们对化学的理解和直觉。可视化器还提供了分子的独立运动，用于对接和观察分子-轨道相互作用。这些设施将允许物理化学学生跟随基本的化学过程，如键的形成，并可视化分子轨道参与光谱跃迁。高级无机化学专业的学生将创建并展示HOMO’s、LUMO’s、计算光谱、立体化学，以更好地理解过渡金属配合物和其他体系中的键合和反应性。* * *