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Tests of Conservation Orbital Symmetry for Reactions of Olefins and Ammonia on Platinum

Tests of Conservation Orbital Symmetry for Reactions of Olefins and Ammonia on Platinum
铂上烯烃和氨反应的守恒轨道对称性测试
批准号:
8613258
负责人:
Richard Masel
金额:
$22.8万
依托单位国家:
美国
项目类别:
Continuing Grant
财政年份:
1987
资助国家:
美国
项目状态:
已结题
起止时间:
1987-03-01 至 1990-08-31

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中文摘要
翻译
基本上,这是伍德沃德理论的延伸, 霍夫曼(他们因此获得了诺贝尔奖), 系统到异构系统,特别是固体表面。 该项目包括计算反应概率, 实验证实的预测,并减少 结果是一个简单的物理模型,可以应用,而无需 广泛的计算。 所提出的概念框架 有可能彻底改变对表面反应性的看法。
英文摘要
Basically, this is an extension of the theory of Woodward and Hoffmann (for which they won a Nobel prize) for homogeneous systems to heterogeneous systems, specifically solid surfaces. The project involves computation of reaction probabilities, experimental confirmation of predictions, and reduction of results to a simple physical model which could be applied without extensive calculations. The conceptual framewrok proposed has potential to revolutionize thinking on surface reactivity.
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会议论文
Engineering Approximations for Kinetic Parameter Estimation
Intrinsic Barriers as a Guide to Rates and Mechanisms of Reactions on Solid Surfaces
Halogen Free Methods for Catalysts Regeneration
Structure Sensitivity of the Mechanism of Simple Catalytic Reactions of Hydrocarbons
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